3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide

C22H24N2O — CID 46342926

IUPAC3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
SMILESCc1ccc(CNC(=O)CC(c2ccccc2C)n2cccc2)cc1
InChIInChI=1S/C22H24N2O/c1-17-9-11-19(12-10-17)16-23-22(25)15-21(24-13-5-6-14-24)20-8-4-3-7-18(20)2/h3-14,21H,15-16H2,1-2H3,(H,23,25)
InChIKeyXFIXNZRHWZMMCK-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.40
Rot. Bonds6

About 3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide

3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide (PubChem CID 46342926) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
PubChem CID46342926
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
SMILESCc1ccc(CNC(=O)CC(c2ccccc2C)n2cccc2)cc1
InChIInChI=1S/C22H24N2O/c1-17-9-11-19(12-10-17)16-23-22(25)15-21(24-13-5-6-14-24)20-8-4-3-7-18(20)2/h3-14,21H,15-16H2,1-2H3,(H,23,25)
InChIKeyXFIXNZRHWZMMCK-UHFFFAOYSA-N
XLogP4.40
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709260
(3S)-N-benzyl-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708975
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342720
(3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709743
(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709852
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710145
methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate
CID 125124293
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
(3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 92709784
3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 46342975
(3R)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709032
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-3-pyrrol-1-ylpropanamide
CID 46342550

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide?
The IUPAC name of 3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide (CID 46342926) is 3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide is Cc1ccc(CNC(=O)CC(c2ccccc2C)n2cccc2)cc1.
What is the InChIKey of 3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide?
The InChIKey is XFIXNZRHWZMMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-17-9-11-19(12-10-17)16-23-22(25)15-21(24-13-5-6-14-24)20-8-4-3-7-18(20)2/h3-14,21H,15-16H2,1-2H3,(H,23,25).
What are the key properties of 3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide?
3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide has a molecular weight of 332.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46342926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).