2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide

C18H21NO — CID 100583680

IUPAC2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccccc1[C@@H](NC(=O)C(C)C)c1ccccc1
InChIInChI=1S/C18H21NO/c1-13(2)18(20)19-17(15-10-5-4-6-11-15)16-12-8-7-9-14(16)3/h4-13,17H,1-3H3,(H,19,20)/t17-/m0/s1
InChIKeyMOZAYXCJLFRWEG-KRWDZBQOSA-N
MW267.37 g/mol
LogP3.86
Rot. Bonds4

About 2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide

2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide (PubChem CID 100583680) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
PubChem CID100583680
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccccc1[C@@H](NC(=O)C(C)C)c1ccccc1
InChIInChI=1S/C18H21NO/c1-13(2)18(20)19-17(15-10-5-4-6-11-15)16-12-8-7-9-14(16)3/h4-13,17H,1-3H3,(H,19,20)/t17-/m0/s1
InChIKeyMOZAYXCJLFRWEG-KRWDZBQOSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 870913
2-(3-chlorophenoxy)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 46772545
2-methyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578946
2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
(2S)-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-methylsulfonylanilino)propanamide
CID 93160173
(2S)-2-[methyl(methylsulfonyl)amino]-N-[(R)-(2-methylphenyl)-phenylmethyl]-2-phenylacetamide
CID 125059689
(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92677761
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
(2S)-2-(2,5-dimethylphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28574921
(2R)-2-(2,5-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28574923
4-iodo-N-[(2-methylphenyl)-phenylmethyl]benzamide
CID 132610512
1-[(S)-(2-methylphenyl)-phenylmethyl]-3-propylurea
CID 100748642

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide?
The IUPAC name of 2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide (CID 100583680) is 2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide?
The canonical SMILES for 2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide is Cc1ccccc1[C@@H](NC(=O)C(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide?
The InChIKey is MOZAYXCJLFRWEG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(2)18(20)19-17(15-10-5-4-6-11-15)16-12-8-7-9-14(16)3/h4-13,17H,1-3H3,(H,19,20)/t17-/m0/s1.
What are the key properties of 2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide?
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide has a molecular weight of 267.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide is sourced from PubChem (CID 100583680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).