N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide

C12H16N2O2 — CID 60972239

IUPACN-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CNC(=O)C2CC2)cc1N
InChIInChI=1S/C12H16N2O2/c1-16-11-5-2-8(6-10(11)13)7-14-12(15)9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3,(H,14,15)
InChIKeyJTKPBRJBAFUAQZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.30
Rot. Bonds4

About N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide

N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide (PubChem CID 60972239) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide
PubChem CID60972239
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CNC(=O)C2CC2)cc1N
InChIInChI=1S/C12H16N2O2/c1-16-11-5-2-8(6-10(11)13)7-14-12(15)9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3,(H,14,15)
InChIKeyJTKPBRJBAFUAQZ-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.30
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-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide
CID 55031718
4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144703
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclohexylacetamide
CID 60972004
methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate
CID 27817531
N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 79155782
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119767075

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide (CID 60972239) is N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide is COc1ccc(CNC(=O)C2CC2)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is JTKPBRJBAFUAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-11-5-2-8(6-10(11)13)7-14-12(15)9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3,(H,14,15).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide?
N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 60972239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).