3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide

C15H21N3O3 — CID 115434921

IUPAC3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)C1(CN)CCCC1
InChIInChI=1S/C15H21N3O3/c1-21-12-5-4-10(13(17)19)8-11(12)18-14(20)15(9-16)6-2-3-7-15/h4-5,8H,2-3,6-7,9,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyYNKYYXPJPWSAEV-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.25
Rot. Bonds5

About 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide

3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide (PubChem CID 115434921) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
PubChem CID115434921
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)C1(CN)CCCC1
InChIInChI=1S/C15H21N3O3/c1-21-12-5-4-10(13(17)19)8-11(12)18-14(20)15(9-16)6-2-3-7-15/h4-5,8H,2-3,6-7,9,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyYNKYYXPJPWSAEV-UHFFFAOYSA-N
XLogP1.25
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-4-methoxybenzoic acid
CID 115453354
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide
CID 82763579
3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide
CID 94005114
methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride
CID 119678118
1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 115182516
3-[[1-(3-chlorophenyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide
CID 55783455
1-(aminomethyl)-N-(2,4-dibromo-5-methoxyphenyl)cyclohexane-1-carboxamide
CID 103413985
1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848800
4-amino-N-(5-carbamoyl-2-methoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248860
3-[(1-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 63744800
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide?
The IUPAC name of 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide (CID 115434921) is 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide.
What is the SMILES notation for 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide?
The canonical SMILES for 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NC(=O)C1(CN)CCCC1.
What is the InChIKey of 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide?
The InChIKey is YNKYYXPJPWSAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-12-5-4-10(13(17)19)8-11(12)18-14(20)15(9-16)6-2-3-7-15/h4-5,8H,2-3,6-7,9,16H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide?
3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide has a molecular weight of 291.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methoxybenzamide is sourced from PubChem (CID 115434921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).