N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide

C12H16N2O2 — CID 16774141

IUPACN-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCC2)c(N)c1
InChIInChI=1S/C12H16N2O2/c1-16-9-5-6-11(10(13)7-9)14-12(15)8-3-2-4-8/h5-8H,2-4,13H2,1H3,(H,14,15)
InChIKeyRGMXORQKJKNJLY-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.02
Rot. Bonds3

About N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide

N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide (PubChem CID 16774141) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
PubChem CID16774141
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
SMILESCOc1ccc(NC(=O)C2CCC2)c(N)c1
InChIInChI=1S/C12H16N2O2/c1-16-9-5-6-11(10(13)7-9)14-12(15)8-3-2-4-8/h5-8H,2-4,13H2,1H3,(H,14,15)
InChIKeyRGMXORQKJKNJLY-UHFFFAOYSA-N
XLogP2.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
CID 146453828
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
N-(2-amino-5-methoxyphenyl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide;hydrochloride
CID 119421456
cis-(1R,3S)-3-[[2-(cyclobutanecarbonylamino)-5-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95390922
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708
N-(2-amino-4-methoxyphenyl)-2-cycloheptylacetamide
CID 114457002
N-(2-amino-5-methoxyphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119421237
N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
CID 7772829
9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988721
2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 115411606

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide (CID 16774141) is N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide is COc1ccc(NC(=O)C2CCC2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide?
The InChIKey is RGMXORQKJKNJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-9-5-6-11(10(13)7-9)14-12(15)8-3-2-4-8/h5-8H,2-4,13H2,1H3,(H,14,15).
What are the key properties of N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide?
N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide has a molecular weight of 220.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 16774141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).