2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide

C14H21NO — CID 95358385

IUPAC2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-5-13(15-14(16)10(2)3)12-8-6-11(4)7-9-12/h6-10,13H,5H2,1-4H3,(H,15,16)/t13-/m0/s1
InChIKeyCNTHUDARVVKTLE-ZDUSSCGKSA-N
MW219.33 g/mol
LogP3.22
Rot. Bonds4

About 2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide

2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide (PubChem CID 95358385) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
PubChem CID95358385
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)C(C)C)c1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-5-13(15-14(16)10(2)3)12-8-6-11(4)7-9-12/h6-10,13H,5H2,1-4H3,(H,15,16)/t13-/m0/s1
InChIKeyCNTHUDARVVKTLE-ZDUSSCGKSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 112766085
2-methyl-N-[1-(4-methylsulfonylphenyl)propyl]propanamide
CID 133265262
(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide
CID 107568564
(2R)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92675499
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091
(2R)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 92675498
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43885999
2-(2,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 133185866
(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94843776

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide (CID 95358385) is 2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide is CC[C@H](NC(=O)C(C)C)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide?
The InChIKey is CNTHUDARVVKTLE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-13(15-14(16)10(2)3)12-8-6-11(4)7-9-12/h6-10,13H,5H2,1-4H3,(H,15,16)/t13-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide?
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide has a molecular weight of 219.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 95358385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).