N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride

C19H30ClN3O3 — CID 119600529

IUPACN-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
SMILESCOc1ccccc1C(=O)NC(C(=O)NC1CCCC1CN)C(C)C.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-12(2)17(19(24)21-15-9-6-7-13(15)11-20)22-18(23)14-8-4-5-10-16(14)25-3;/h4-5,8,10,12-13,15,17H,6-7,9,11,20H2,1-3H3,(H,21,24)(H,22,23);1H
InChIKeyXUMOQUSTRCHLRB-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.12
Rot. Bonds7

About N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride

N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride (PubChem CID 119600529) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
PubChem CID119600529
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC NameN-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
SMILESCOc1ccccc1C(=O)NC(C(=O)NC1CCCC1CN)C(C)C.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-12(2)17(19(24)21-15-9-6-7-13(15)11-20)22-18(23)14-8-4-5-10-16(14)25-3;/h4-5,8,10,12-13,15,17H,6-7,9,11,20H2,1-3H3,(H,21,24)(H,22,23);1H
InChIKeyXUMOQUSTRCHLRB-UHFFFAOYSA-N
XLogP2.12
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride with MolForge

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Related Compounds

N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119601989
N-[1-[(2,3-dimethylcyclohexyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 112772360
N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9208969
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119601158
cis-(1R,3S)-3-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120679021
N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527
2-methoxy-N-[1-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55979600
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8563198
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-2-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119601537
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride?
The IUPAC name of N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride (CID 119600529) is N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride is COc1ccccc1C(=O)NC(C(=O)NC1CCCC1CN)C(C)C.Cl.
What is the InChIKey of N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride?
The InChIKey is XUMOQUSTRCHLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-12(2)17(19(24)21-15-9-6-7-13(15)11-20)22-18(23)14-8-4-5-10-16(14)25-3;/h4-5,8,10,12-13,15,17H,6-7,9,11,20H2,1-3H3,(H,21,24)(H,22,23);1H.
What are the key properties of N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride?
N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119600529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).