3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide

C24H30N2O2 — CID 83280081

IUPAC3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide
SMILESCOc1ccc2[nH]cc(C(CCc3ccccc3)CC(=O)NCC(C)C)c2c1
InChIInChI=1S/C24H30N2O2/c1-17(2)15-26-24(27)13-19(10-9-18-7-5-4-6-8-18)22-16-25-23-12-11-20(28-3)14-21(22)23/h4-8,11-12,14,16-17,19,25H,9-10,13,15H2,1-3H3,(H,26,27)
InChIKeyNCVPZEZIBLWDFX-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.06
Rot. Bonds9

About 3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide

3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide (PubChem CID 83280081) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide.

Molecular Properties

Compound Name3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide
PubChem CID83280081
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide
SMILESCOc1ccc2[nH]cc(C(CCc3ccccc3)CC(=O)NCC(C)C)c2c1
InChIInChI=1S/C24H30N2O2/c1-17(2)15-26-24(27)13-19(10-9-18-7-5-4-6-8-18)22-16-25-23-12-11-20(28-3)14-21(22)23/h4-8,11-12,14,16-17,19,25H,9-10,13,15H2,1-3H3,(H,26,27)
InChIKeyNCVPZEZIBLWDFX-UHFFFAOYSA-N
XLogP5.06
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93125259
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 95598350
N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83284963
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
4-(5-methoxy-1H-indol-3-yl)pentanoic acid
CID 115420787
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
(2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid
CID 54203578
2-(4-benzylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetic acid
CID 42651859
ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
CID 54293659
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208378
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide?
The IUPAC name of 3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide (CID 83280081) is 3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide.
What is the SMILES notation for 3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide?
The canonical SMILES for 3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide is COc1ccc2[nH]cc(C(CCc3ccccc3)CC(=O)NCC(C)C)c2c1.
What is the InChIKey of 3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide?
The InChIKey is NCVPZEZIBLWDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17(2)15-26-24(27)13-19(10-9-18-7-5-4-6-8-18)22-16-25-23-12-11-20(28-3)14-21(22)23/h4-8,11-12,14,16-17,19,25H,9-10,13,15H2,1-3H3,(H,26,27).
What are the key properties of 3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide?
3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide has a molecular weight of 378.52 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1H-indol-3-yl)-N-(2-methylpropyl)-5-phenylpentanamide is sourced from PubChem (CID 83280081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).