4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide

C15H22N2O2 — CID 107411010

IUPAC4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCC2CCC(C)C2)ccc1N
InChIInChI=1S/C15H22N2O2/c1-10-3-4-11(7-10)9-17-15(18)12-5-6-13(16)14(8-12)19-2/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3,(H,17,18)
InChIKeyOWASCQIGQGFDAT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.44
Rot. Bonds4

About 4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide

4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide (PubChem CID 107411010) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
PubChem CID107411010
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCC2CCC(C)C2)ccc1N
InChIInChI=1S/C15H22N2O2/c1-10-3-4-11(7-10)9-17-15(18)12-5-6-13(16)14(8-12)19-2/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3,(H,17,18)
InChIKeyOWASCQIGQGFDAT-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.44
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

3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide
CID 107294730
3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411021
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
2-amino-5-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107410964
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide
CID 104782928
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
CID 104782948
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492
N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
CID 66004934

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide?
The IUPAC name of 4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide (CID 107411010) is 4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide is COc1cc(C(=O)NCC2CCC(C)C2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide?
The InChIKey is OWASCQIGQGFDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-3-4-11(7-10)9-17-15(18)12-5-6-13(16)14(8-12)19-2/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide?
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 107411010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).