2-methyl-N-[3-(4-methylphenyl)propyl]propanamide

C14H21NO — CID 56920541

IUPAC2-methyl-N-[3-(4-methylphenyl)propyl]propanamide
SMILESCc1ccc(CCCNC(=O)C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-11(2)14(16)15-10-4-5-13-8-6-12(3)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyBGJLGXVRQXKACA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.70
Rot. Bonds5

About 2-methyl-N-[3-(4-methylphenyl)propyl]propanamide

2-methyl-N-[3-(4-methylphenyl)propyl]propanamide (PubChem CID 56920541) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methylphenyl)propyl]propanamide
PubChem CID56920541
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-N-[3-(4-methylphenyl)propyl]propanamide
SMILESCc1ccc(CCCNC(=O)C(C)C)cc1
InChIInChI=1S/C14H21NO/c1-11(2)14(16)15-10-4-5-13-8-6-12(3)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)
InChIKeyBGJLGXVRQXKACA-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(4-sulfamoylphenyl)propyl]propanamide
CID 60905744
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
2-(4-fluorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100706292
2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100631897
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
2-methyl-N-[2-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]ethyl]propanamide
CID 111199142
3-methyl-2-(4-methylphenyl)-N-[3-(4-sulfamoylphenyl)propyl]butanamide
CID 110313954
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
CID 132661818
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(4-methylphenyl)propyl]propanamide (CID 56920541) is 2-methyl-N-[3-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(4-methylphenyl)propyl]propanamide is Cc1ccc(CCCNC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[3-(4-methylphenyl)propyl]propanamide?
The InChIKey is BGJLGXVRQXKACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)14(16)15-10-4-5-13-8-6-12(3)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-N-[3-(4-methylphenyl)propyl]propanamide?
2-methyl-N-[3-(4-methylphenyl)propyl]propanamide has a molecular weight of 219.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 56920541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).