(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide

C27H36N2O3 — CID 93125167

IUPAC(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c[nH]c2c(CC)cccc12
InChIInChI=1S/C27H36N2O3/c1-5-7-8-9-15-28-26(30)17-23(21-14-13-20(31-3)16-25(21)32-4)24-18-29-27-19(6-2)11-10-12-22(24)27/h10-14,16,18,23,29H,5-9,15,17H2,1-4H3,(H,28,30)/t23-/m0/s1
InChIKeyNNIUBKPCQOCUAE-QHCPKHFHSA-N
MW436.60 g/mol
LogP5.97
Rot. Bonds12

About (3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide

(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide (PubChem CID 93125167) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is (3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide.

Molecular Properties

Compound Name(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
PubChem CID93125167
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC Name(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
SMILESCCCCCCNC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c[nH]c2c(CC)cccc12
InChIInChI=1S/C27H36N2O3/c1-5-7-8-9-15-28-26(30)17-23(21-14-13-20(31-3)16-25(21)32-4)24-18-29-27-19(6-2)11-10-12-22(24)27/h10-14,16,18,23,29H,5-9,15,17H2,1-4H3,(H,28,30)/t23-/m0/s1
InChIKeyNNIUBKPCQOCUAE-QHCPKHFHSA-N
XLogP5.97
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 42804555
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 42802283
3-(7-ethyl-1H-indol-3-yl)-N-hexyl-3-thiophen-3-ylpropanamide
CID 4150778
3-(3,5-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide
CID 4034993
3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803855
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
(3S)-N-butyl-3-(7-ethyl-1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93123729
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46132436
(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93125251
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 42802355
(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 129423231
(3R)-3-(2,3-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93125185

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide?
The IUPAC name of (3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide (CID 93125167) is (3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide.
What is the SMILES notation for (3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide?
The canonical SMILES for (3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide is CCCCCCNC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c[nH]c2c(CC)cccc12.
What is the InChIKey of (3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide?
The InChIKey is NNIUBKPCQOCUAE-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-5-7-8-9-15-28-26(30)17-23(21-14-13-20(31-3)16-25(21)32-4)24-18-29-27-19(6-2)11-10-12-22(24)27/h10-14,16,18,23,29H,5-9,15,17H2,1-4H3,(H,28,30)/t23-/m0/s1.
What are the key properties of (3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide?
(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide has a molecular weight of 436.60 g/mol, XLogP of 5.97, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide is sourced from PubChem (CID 93125167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).