N-[2-(4-methylphenyl)propan-2-yl]propanamide

C13H19NO — CID 67588403

IUPACN-[2-(4-methylphenyl)propan-2-yl]propanamide
SMILESCCC(=O)NC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C13H19NO/c1-5-12(15)14-13(3,4)11-8-6-10(2)7-9-11/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyJXPAARVJDXUNOU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.76
Rot. Bonds3

About N-[2-(4-methylphenyl)propan-2-yl]propanamide

N-[2-(4-methylphenyl)propan-2-yl]propanamide (PubChem CID 67588403) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)propan-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)propan-2-yl]propanamide
PubChem CID67588403
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[2-(4-methylphenyl)propan-2-yl]propanamide
SMILESCCC(=O)NC(C)(C)c1ccc(C)cc1
InChIInChI=1S/C13H19NO/c1-5-12(15)14-13(3,4)11-8-6-10(2)7-9-11/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyJXPAARVJDXUNOU-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-methylphenyl)propan-2-yl]propanamide
CID 118233216
N-[2-(4-methylphenyl)propan-2-yl]-6,7-dioxoheptanamide
CID 174266948
ethane;methanol;2-methyl-2-(4-methylphenyl)pentan-3-one
CID 143507442
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide
CID 110470666
2-cyano-N-[2-(6-methylnaphthalen-2-yl)propan-2-yl]acetamide
CID 116829529
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-(4-methylphenoxy)acetamide
CID 113091527
2-(2-chlorophenyl)-N-[2-(4-chlorophenyl)propan-2-yl]acetamide
CID 12807701
2-phenylpropan-2-ylcarbamic acid
CID 23445609
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610
N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79203736
2-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118330

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)propan-2-yl]propanamide?
The IUPAC name of N-[2-(4-methylphenyl)propan-2-yl]propanamide (CID 67588403) is N-[2-(4-methylphenyl)propan-2-yl]propanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)propan-2-yl]propanamide?
The canonical SMILES for N-[2-(4-methylphenyl)propan-2-yl]propanamide is CCC(=O)NC(C)(C)c1ccc(C)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)propan-2-yl]propanamide?
The InChIKey is JXPAARVJDXUNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-12(15)14-13(3,4)11-8-6-10(2)7-9-11/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of N-[2-(4-methylphenyl)propan-2-yl]propanamide?
N-[2-(4-methylphenyl)propan-2-yl]propanamide has a molecular weight of 205.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)propan-2-yl]propanamide is sourced from PubChem (CID 67588403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).