1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone

C108H121N9O6 — CID 157205798

IUPAC1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone
SMILESCC(=O)c1cn(CCCNC2Cc3ccccc3C2)c2c(C)cccc12.CCc1cccc2c(C(C)=O)cn(CCCNC3Cc4ccccc4C3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCNC3Cc4ccccc4C3)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12
InChIInChI=1S/C32H37N3O2.C29H30N2O2.C24H28N2O.C23H26N2O/c1-37-30-16-8-15-28-29(32(36)27-13-6-3-7-14-27)25-35(31(28)30)21-10-20-33-18-9-19-34(24-23-33)22-17-26-11-4-2-5-12-26;1-33-28-14-7-13-25-26(27(32)17-21-9-3-2-4-10-21)20-31(29(25)28)16-8-15-30-24-18-22-11-5-6-12-23(22)19-24;1-3-18-10-6-11-22-23(17(2)27)16-26(24(18)22)13-7-12-25-21-14-19-8-4-5-9-20(19)15-21;1-16-7-5-10-21-22(17(2)26)15-25(23(16)21)12-6-11-24-20-13-18-8-3-4-9-19(18)14-20/h2-8,11-16,25H,9-10,17-24H2,1H3;2-7,9-14,20,24,30H,8,15-19H2,1H3;4-6,8-11,16,21,25H,3,7,12-15H2,1-2H3;3-5,7-10,15,20,24H,6,11-14H2,1-2H3
InChIKeyARIOGCBPYOOIRC-UHFFFAOYSA-N
MW1641.21 g/mol
LogP19.60
Rot. Bonds32

About 1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone

1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone (PubChem CID 157205798) has the molecular formula C108H121N9O6 and a molecular weight of 1641.21 g/mol. Its IUPAC name is 1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone
PubChem CID157205798
Molecular FormulaC108H121N9O6
Molecular Weight1641.21 g/mol
Exact Mass1639.94
IUPAC Name1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone
SMILESCC(=O)c1cn(CCCNC2Cc3ccccc3C2)c2c(C)cccc12.CCc1cccc2c(C(C)=O)cn(CCCNC3Cc4ccccc4C3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCNC3Cc4ccccc4C3)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12
InChIInChI=1S/C32H37N3O2.C29H30N2O2.C24H28N2O.C23H26N2O/c1-37-30-16-8-15-28-29(32(36)27-13-6-3-7-14-27)25-35(31(28)30)21-10-20-33-18-9-19-34(24-23-33)22-17-26-11-4-2-5-12-26;1-33-28-14-7-13-25-26(27(32)17-21-9-3-2-4-10-21)20-31(29(25)28)16-8-15-30-24-18-22-11-5-6-12-23(22)19-24;1-3-18-10-6-11-22-23(17(2)27)16-26(24(18)22)13-7-12-25-21-14-19-8-4-5-9-20(19)15-21;1-16-7-5-10-21-22(17(2)26)15-25(23(16)21)12-6-11-24-20-13-18-8-3-4-9-19(18)14-20/h2-8,11-16,25H,9-10,17-24H2,1H3;2-7,9-14,20,24,30H,8,15-19H2,1H3;4-6,8-11,16,21,25H,3,7,12-15H2,1-2H3;3-5,7-10,15,20,24H,6,11-14H2,1-2H3
InChIKeyARIOGCBPYOOIRC-UHFFFAOYSA-N
XLogP19.60
TPSA149.03 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds32
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001641.21
LogP ≤ 519.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone?
The IUPAC name of 1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone (CID 157205798) is 1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone.
What is the SMILES notation for 1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone?
The canonical SMILES for 1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone is CC(=O)c1cn(CCCNC2Cc3ccccc3C2)c2c(C)cccc12.CCc1cccc2c(C(C)=O)cn(CCCNC3Cc4ccccc4C3)c12.COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCNC3Cc4ccccc4C3)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCCN(CCc4ccccc4)CC3)c12.
What is the InChIKey of 1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone?
The InChIKey is ARIOGCBPYOOIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2.C29H30N2O2.C24H28N2O.C23H26N2O/c1-37-30-16-8-15-28-29(32(36)27-13-6-3-7-14-27)25-35(31(28)30)21-10-20-33-18-9-19-34(24-23-33)22-17-26-11-4-2-5-12-26;1-33-28-14-7-13-25-26(27(32)17-21-9-3-2-4-10-21)20-31(29(25)28)16-8-15-30-24-18-22-11-5-6-12-23(22)19-24;1-3-18-10-6-11-22-23(17(2)27)16-26(24(18)22)13-7-12-25-21-14-19-8-4-5-9-20(19)15-21;1-16-7-5-10-21-22(17(2)26)15-25(23(16)21)12-6-11-24-20-13-18-8-3-4-9-19(18)14-20/h2-8,11-16,25H,9-10,17-24H2,1H3;2-7,9-14,20,24,30H,8,15-19H2,1H3;4-6,8-11,16,21,25H,3,7,12-15H2,1-2H3;3-5,7-10,15,20,24H,6,11-14H2,1-2H3.
What are the key properties of 1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone?
1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone has a molecular weight of 1641.21 g/mol, XLogP of 19.60, 32 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-ethylindol-3-yl]ethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxyindol-3-yl]-2-phenylethanone;1-[1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methylindol-3-yl]ethanone;[7-methoxy-1-[3-[4-(2-phenylethyl)-1,4-diazepan-1-yl]propyl]indol-3-yl]-phenylmethanone is sourced from PubChem (CID 157205798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).