N-[1-(2-methylphenyl)propan-2-yl]acetamide

C12H17NO — CID 541803

IUPACN-[1-(2-methylphenyl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccccc1C
InChIInChI=1S/C12H17NO/c1-9-6-4-5-7-12(9)8-10(2)13-11(3)14/h4-7,10H,8H2,1-3H3,(H,13,14)
InChIKeyVHOLTVNEQZQDOC-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.06
Rot. Bonds3

About N-[1-(2-methylphenyl)propan-2-yl]acetamide

N-[1-(2-methylphenyl)propan-2-yl]acetamide (PubChem CID 541803) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)propan-2-yl]acetamide
PubChem CID541803
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[1-(2-methylphenyl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccccc1C
InChIInChI=1S/C12H17NO/c1-9-6-4-5-7-12(9)8-10(2)13-11(3)14/h4-7,10H,8H2,1-3H3,(H,13,14)
InChIKeyVHOLTVNEQZQDOC-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
2-bromo-3-methyl-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 54867370
2-bromo-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 62854671
2-methoxy-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47062728
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
3-(ethylamino)-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]propanamide
CID 62851503
(E)-4-[1-(2-methylphenyl)propan-2-ylamino]-4-oxobut-2-enoic acid
CID 54866883
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
CID 119297318
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]-2-phenylacetamide
CID 104897382
N-methyl-2-[1-(2-methylphenyl)propan-2-ylamino]acetamide
CID 115706820
2-ethoxy-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 61063462

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]acetamide?
The IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]acetamide (CID 541803) is N-[1-(2-methylphenyl)propan-2-yl]acetamide.
What is the SMILES notation for N-[1-(2-methylphenyl)propan-2-yl]acetamide?
The canonical SMILES for N-[1-(2-methylphenyl)propan-2-yl]acetamide is CC(=O)NC(C)Cc1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenyl)propan-2-yl]acetamide?
The InChIKey is VHOLTVNEQZQDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-6-4-5-7-12(9)8-10(2)13-11(3)14/h4-7,10H,8H2,1-3H3,(H,13,14).
What are the key properties of N-[1-(2-methylphenyl)propan-2-yl]acetamide?
N-[1-(2-methylphenyl)propan-2-yl]acetamide has a molecular weight of 191.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 541803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).