3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide

C29H28N4O3 — CID 173264410

IUPAC3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccccc2c1CCC(=O)NCCc1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C29H28N4O3/c30-29(35)28-24(23-8-4-5-9-25(23)33-28)12-13-27(34)31-15-14-21-16-20-10-11-22(17-26(20)32-21)36-18-19-6-2-1-3-7-19/h1-11,16-17,32-33H,12-15,18H2,(H2,30,35)(H,31,34)
InChIKeyKIPFAJIEMIWNQD-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.62
Rot. Bonds10

About 3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide

3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide (PubChem CID 173264410) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is 3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide
PubChem CID173264410
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC Name3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccccc2c1CCC(=O)NCCc1cc2ccc(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C29H28N4O3/c30-29(35)28-24(23-8-4-5-9-25(23)33-28)12-13-27(34)31-15-14-21-16-20-10-11-22(17-26(20)32-21)36-18-19-6-2-1-3-7-19/h1-11,16-17,32-33H,12-15,18H2,(H2,30,35)(H,31,34)
InChIKeyKIPFAJIEMIWNQD-UHFFFAOYSA-N
XLogP4.62
TPSA113.00 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-3-oxopropyl)-1H-indole-2-carboxamide
CID 173085414
4-[3-[2-(1H-indol-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 75516623
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 67870554
methyl 2-benzyl-3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 22570321
N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043
3-benzyl-1H-indole-2-carboxamide
CID 70180298
benzyl 2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]acetate
CID 27711373
3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide
CID 175237247
N-[2-(3-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529557
ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-phenylmethoxy-1H-indole-2-carboxylate
CID 58172045
N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847
(3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone
CID 112526940

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide (CID 173264410) is 3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccccc2c1CCC(=O)NCCc1cc2ccc(OCc3ccccc3)cc2[nH]1.
What is the InChIKey of 3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide?
The InChIKey is KIPFAJIEMIWNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c30-29(35)28-24(23-8-4-5-9-25(23)33-28)12-13-27(34)31-15-14-21-16-20-10-11-22(17-26(20)32-21)36-18-19-6-2-1-3-7-19/h1-11,16-17,32-33H,12-15,18H2,(H2,30,35)(H,31,34).
What are the key properties of 3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide?
3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 4.62, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[2-(6-phenylmethoxy-1H-indol-2-yl)ethylamino]propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 173264410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).