2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide

C54H66N6O4 — CID 158770411

IUPAC2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc2[nH]cc(C3=CCN(CC)CC3)c2c1.CCCOc1cccc(C(=O)Nc2ccc3[nH]cc(C4=CCN(C(C)CCC)CC4)c3c2)c1
InChIInChI=1S/C28H35N3O2.C26H31N3O2/c1-4-7-20(3)31-14-12-21(13-15-31)26-19-29-27-11-10-23(18-25(26)27)30-28(32)22-8-6-9-24(17-22)33-16-5-2;1-3-5-16-31-25-9-7-6-8-21(25)26(30)28-20-10-11-24-22(17-20)23(18-27-24)19-12-14-29(4-2)15-13-19/h6,8-12,17-20,29H,4-5,7,13-16H2,1-3H3,(H,30,32);6-12,17-18,27H,3-5,13-16H2,1-2H3,(H,28,30)
InChIKeyIPUGXTHCAIAHPF-UHFFFAOYSA-N
MW863.16 g/mol
LogP12.19
Rot. Bonds17

About 2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide

2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide (PubChem CID 158770411) has the molecular formula C54H66N6O4 and a molecular weight of 863.16 g/mol. Its IUPAC name is 2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide.

Molecular Properties

Compound Name2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide
PubChem CID158770411
Molecular FormulaC54H66N6O4
Molecular Weight863.16 g/mol
Exact Mass862.51
IUPAC Name2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc2[nH]cc(C3=CCN(CC)CC3)c2c1.CCCOc1cccc(C(=O)Nc2ccc3[nH]cc(C4=CCN(C(C)CCC)CC4)c3c2)c1
InChIInChI=1S/C28H35N3O2.C26H31N3O2/c1-4-7-20(3)31-14-12-21(13-15-31)26-19-29-27-11-10-23(18-25(26)27)30-28(32)22-8-6-9-24(17-22)33-16-5-2;1-3-5-16-31-25-9-7-6-8-21(25)26(30)28-20-10-11-24-22(17-20)23(18-27-24)19-12-14-29(4-2)15-13-19/h6,8-12,17-20,29H,4-5,7,13-16H2,1-3H3,(H,30,32);6-12,17-18,27H,3-5,13-16H2,1-2H3,(H,28,30)
InChIKeyIPUGXTHCAIAHPF-UHFFFAOYSA-N
XLogP12.19
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.16
LogP ≤ 512.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide with MolForge

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Related Compounds

Del-22379
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CID 46890709
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propan-2-yl]-2-methylpropanamide
CID 22862448
(6S)-6-(1H-indol-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
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Hydroxylethylamine scaffold 113
CID 6539346
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide
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N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-4-oxo-4-phenyl-butyramide
CID 44289441
N1,N10-bis(2-(5-methoxy-1H-indol-3-yl)ethyl)decanediamide
CID 44424026
N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide
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(4-(1H-indole-6-carbonyl)piperazin-1-yl)(3''-methoxybiphenyl-4-yl)methanone
CID 46880461

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide?
The IUPAC name of 2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide (CID 158770411) is 2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide.
What is the SMILES notation for 2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide?
The canonical SMILES for 2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide is CCCCOc1ccccc1C(=O)Nc1ccc2[nH]cc(C3=CCN(CC)CC3)c2c1.CCCOc1cccc(C(=O)Nc2ccc3[nH]cc(C4=CCN(C(C)CCC)CC4)c3c2)c1.
What is the InChIKey of 2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide?
The InChIKey is IPUGXTHCAIAHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2.C26H31N3O2/c1-4-7-20(3)31-14-12-21(13-15-31)26-19-29-27-11-10-23(18-25(26)27)30-28(32)22-8-6-9-24(17-22)33-16-5-2;1-3-5-16-31-25-9-7-6-8-21(25)26(30)28-20-10-11-24-22(17-20)23(18-27-24)19-12-14-29(4-2)15-13-19/h6,8-12,17-20,29H,4-5,7,13-16H2,1-3H3,(H,30,32);6-12,17-18,27H,3-5,13-16H2,1-2H3,(H,28,30).
What are the key properties of 2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide?
2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide has a molecular weight of 863.16 g/mol, XLogP of 12.19, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-propoxybenzamide is sourced from PubChem (CID 158770411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).