N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide

C13H17NO2 — CID 60701170

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(C)=O)C2CC2)cc1
InChIInChI=1S/C13H17NO2/c1-9(15)14-13(10-3-4-10)11-5-7-12(16-2)8-6-11/h5-8,10,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyIHYVVTSTQYKGES-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.28
Rot. Bonds4

About N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide (PubChem CID 60701170) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
PubChem CID60701170
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(C(NC(C)=O)C2CC2)cc1
InChIInChI=1S/C13H17NO2/c1-9(15)14-13(10-3-4-10)11-5-7-12(16-2)8-6-11/h5-8,10,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyIHYVVTSTQYKGES-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46571953
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 79348785
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218
N-[cyclopropyl(phenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 46509264
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 115575468
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]pentanamide
CID 107569374

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide (CID 60701170) is N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide is COc1ccc(C(NC(C)=O)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide?
The InChIKey is IHYVVTSTQYKGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(15)14-13(10-3-4-10)11-5-7-12(16-2)8-6-11/h5-8,10,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 60701170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).