N-[1-(3-methoxyphenyl)propan-2-yl]acetamide

C12H17NO2 — CID 541954

IUPACN-[1-(3-methoxyphenyl)propan-2-yl]acetamide
SMILESCOc1cccc(CC(C)NC(C)=O)c1
InChIInChI=1S/C12H17NO2/c1-9(13-10(2)14)7-11-5-4-6-12(8-11)15-3/h4-6,8-9H,7H2,1-3H3,(H,13,14)
InChIKeyOKLJQMHTDMDYCB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.76
Rot. Bonds4

About N-[1-(3-methoxyphenyl)propan-2-yl]acetamide

N-[1-(3-methoxyphenyl)propan-2-yl]acetamide (PubChem CID 541954) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)propan-2-yl]acetamide
PubChem CID541954
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[1-(3-methoxyphenyl)propan-2-yl]acetamide
SMILESCOc1cccc(CC(C)NC(C)=O)c1
InChIInChI=1S/C12H17NO2/c1-9(13-10(2)14)7-11-5-4-6-12(8-11)15-3/h4-6,8-9H,7H2,1-3H3,(H,13,14)
InChIKeyOKLJQMHTDMDYCB-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
CID 86943865
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125
2-(2-methoxyanilino)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96534561
1-[1-(3,4-difluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943088
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943626
1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943106
(E)-3-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941753

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]acetamide?
The IUPAC name of N-[1-(3-methoxyphenyl)propan-2-yl]acetamide (CID 541954) is N-[1-(3-methoxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)propan-2-yl]acetamide is COc1cccc(CC(C)NC(C)=O)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)propan-2-yl]acetamide?
The InChIKey is OKLJQMHTDMDYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(13-10(2)14)7-11-5-4-6-12(8-11)15-3/h4-6,8-9H,7H2,1-3H3,(H,13,14).
What are the key properties of N-[1-(3-methoxyphenyl)propan-2-yl]acetamide?
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide has a molecular weight of 207.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 541954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).