N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide

C24H30N2O — CID 3336287

IUPACN-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(C(CC(=O)NCCC(C)C)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C24H30N2O/c1-17(2)12-13-25-24(27)15-21(19-9-7-8-18(3)14-19)22-16-26(4)23-11-6-5-10-20(22)23/h5-11,14,16-17,21H,12-13,15H2,1-4H3,(H,25,27)
InChIKeySOXOXBOQWOCVIQ-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.17
Rot. Bonds7

About N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide

N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide (PubChem CID 3336287) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
PubChem CID3336287
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC NameN-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(C(CC(=O)NCCC(C)C)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C24H30N2O/c1-17(2)12-13-25-24(27)15-21(19-9-7-8-18(3)14-19)22-16-26(4)23-11-6-5-10-20(22)23/h5-11,14,16-17,21H,12-13,15H2,1-4H3,(H,25,27)
InChIKeySOXOXBOQWOCVIQ-UHFFFAOYSA-N
XLogP5.17
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3336286
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 3336438
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774807
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
(3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide
CID 93114899
3-(1-benzylindol-3-yl)-N-(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 42774906
(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122545
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 92957580

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide (CID 3336287) is N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide is Cc1cccc(C(CC(=O)NCCC(C)C)c2cn(C)c3ccccc23)c1.
What is the InChIKey of N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is SOXOXBOQWOCVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-17(2)12-13-25-24(27)15-21(19-9-7-8-18(3)14-19)22-16-26(4)23-11-6-5-10-20(22)23/h5-11,14,16-17,21H,12-13,15H2,1-4H3,(H,25,27).
What are the key properties of N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide?
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 362.52 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 3336287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).