N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride

C19H30ClN3O2 — CID 119601158

IUPACN-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13(2)18(19(24)21-16-10-6-9-15(16)12-20)22-17(23)11-14-7-4-3-5-8-14;/h3-5,7-8,13,15-16,18H,6,9-12,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyOVYAHXYUTCZNQJ-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.04
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride (PubChem CID 119601158) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
PubChem CID119601158
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13(2)18(19(24)21-16-10-6-9-15(16)12-20)22-17(23)11-14-7-4-3-5-8-14;/h3-5,7-8,13,15-16,18H,6,9-12,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyOVYAHXYUTCZNQJ-UHFFFAOYSA-N
XLogP2.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119601989
N-cyclopentyl-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 42909311
N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119600529
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012
N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119602707
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119455708
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
N-[2-(aminomethyl)cyclopentyl]-2-(2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119601537
N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide
CID 119602815
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-phenylpentanamide;hydrochloride
CID 119609450
N-[2-(aminomethyl)cyclopentyl]-2-naphthalen-2-ylacetamide;hydrochloride
CID 119600586
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride (CID 119601158) is N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride is CC(C)C(NC(=O)Cc1ccccc1)C(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride?
The InChIKey is OVYAHXYUTCZNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-13(2)18(19(24)21-16-10-6-9-15(16)12-20)22-17(23)11-14-7-4-3-5-8-14;/h3-5,7-8,13,15-16,18H,6,9-12,20H2,1-2H3,(H,21,24)(H,22,23);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride is sourced from PubChem (CID 119601158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).