3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide

C20H22N2O — CID 18114637

IUPAC3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)CCn1ccc2ccccc21
InChIInChI=1S/C20H22N2O/c1-16-6-2-3-7-17(16)10-13-21-20(23)12-15-22-14-11-18-8-4-5-9-19(18)22/h2-9,11,14H,10,12-13,15H2,1H3,(H,21,23)
InChIKeyIDLDPRWOSQPRNS-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.70
Rot. Bonds6

About 3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide

3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 18114637) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID18114637
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)CCn1ccc2ccccc21
InChIInChI=1S/C20H22N2O/c1-16-6-2-3-7-17(16)10-13-21-20(23)12-15-22-14-11-18-8-4-5-9-19(18)22/h2-9,11,14H,10,12-13,15H2,1H3,(H,21,23)
InChIKeyIDLDPRWOSQPRNS-UHFFFAOYSA-N
XLogP3.70
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide
CID 18119415
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N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
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N-[2-(furan-2-yl)ethyl]-3-indol-1-ylpropanamide
CID 18111353
N-[2-(diethylamino)ethyl]-3-indol-1-ylpropanamide
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N-[3-[benzyl(methyl)amino]propyl]-3-indol-1-ylpropanamide
CID 18118692
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-indol-1-ylpropanamide
CID 71709006
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
2-[2-(3-indol-1-ylpropanoylamino)ethoxy]propanoic acid
CID 110495262
3-(3-indol-1-ylpropanoylamino)-2-methylpropanoic acid
CID 119236973

Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide (CID 18114637) is 3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1CCNC(=O)CCn1ccc2ccccc21.
What is the InChIKey of 3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is IDLDPRWOSQPRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-16-6-2-3-7-17(16)10-13-21-20(23)12-15-22-14-11-18-8-4-5-9-19(18)22/h2-9,11,14H,10,12-13,15H2,1H3,(H,21,23).
What are the key properties of 3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide?
3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 306.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 18114637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).