N-[2-(3-methylphenyl)propan-2-yl]propanamide

C13H19NO — CID 118233216

IUPACN-[2-(3-methylphenyl)propan-2-yl]propanamide
SMILESCCC(=O)NC(C)(C)c1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-5-12(15)14-13(3,4)11-8-6-7-10(2)9-11/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyXUVRGJQNDLNNQY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.76
Rot. Bonds3

About N-[2-(3-methylphenyl)propan-2-yl]propanamide

N-[2-(3-methylphenyl)propan-2-yl]propanamide (PubChem CID 118233216) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)propan-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)propan-2-yl]propanamide
PubChem CID118233216
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[2-(3-methylphenyl)propan-2-yl]propanamide
SMILESCCC(=O)NC(C)(C)c1cccc(C)c1
InChIInChI=1S/C13H19NO/c1-5-12(15)14-13(3,4)11-8-6-7-10(2)9-11/h6-9H,5H2,1-4H3,(H,14,15)
InChIKeyXUVRGJQNDLNNQY-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

2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330311
4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide
CID 119795625
N-[2-(4-methylphenyl)propan-2-yl]propanamide
CID 67588403
2-(2-methoxyethylamino)-N-[2-(3-methylphenyl)propan-2-yl]acetamide
CID 119795652
butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate
CID 20658639
N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
CID 168742135
N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795645
1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea
CID 129101422
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide
CID 119795633
methyl 2-bromo-2-(3-methylphenyl)propanoate
CID 146186295
methyl (2R)-2-hydroxy-2-(3-methylphenyl)propanoate
CID 56926601

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)propan-2-yl]propanamide?
The IUPAC name of N-[2-(3-methylphenyl)propan-2-yl]propanamide (CID 118233216) is N-[2-(3-methylphenyl)propan-2-yl]propanamide.
What is the SMILES notation for N-[2-(3-methylphenyl)propan-2-yl]propanamide?
The canonical SMILES for N-[2-(3-methylphenyl)propan-2-yl]propanamide is CCC(=O)NC(C)(C)c1cccc(C)c1.
What is the InChIKey of N-[2-(3-methylphenyl)propan-2-yl]propanamide?
The InChIKey is XUVRGJQNDLNNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-12(15)14-13(3,4)11-8-6-7-10(2)9-11/h6-9H,5H2,1-4H3,(H,14,15).
What are the key properties of N-[2-(3-methylphenyl)propan-2-yl]propanamide?
N-[2-(3-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-(3-methylphenyl)propan-2-yl]propanamide is sourced from PubChem (CID 118233216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).