N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride

C16H25ClN4O2 — CID 119602707

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride
SMILESCC(NC(=O)Nc1ccccc1)C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-11(15(21)20-14-9-5-6-12(14)10-17)18-16(22)19-13-7-3-2-4-8-13;/h2-4,7-8,11-12,14H,5-6,9-10,17H2,1H3,(H,20,21)(H2,18,19,22);1H
InChIKeyCOFGXJHAMLSHIK-UHFFFAOYSA-N
MW340.86 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride (PubChem CID 119602707) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride
PubChem CID119602707
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride
SMILESCC(NC(=O)Nc1ccccc1)C(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-11(15(21)20-14-9-5-6-12(14)10-17)18-16(22)19-13-7-3-2-4-8-13;/h2-4,7-8,11-12,14H,5-6,9-10,17H2,1H3,(H,20,21)(H2,18,19,22);1H
InChIKeyCOFGXJHAMLSHIK-UHFFFAOYSA-N
XLogP1.86
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012
N-(2-amino-1-cyclopropylethyl)-2-(phenylcarbamoylamino)propanamide
CID 119615052
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119601158
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119601989
N-(2-aminoethyl)-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119383618
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119611965
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
N-[2-(aminomethyl)cyclopentyl]-2-(diethylamino)-2-phenylacetamide
CID 119602222
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride (CID 119602707) is N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride is CC(NC(=O)Nc1ccccc1)C(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride?
The InChIKey is COFGXJHAMLSHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-11(15(21)20-14-9-5-6-12(14)10-17)18-16(22)19-13-7-3-2-4-8-13;/h2-4,7-8,11-12,14H,5-6,9-10,17H2,1H3,(H,20,21)(H2,18,19,22);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 1.86, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(phenylcarbamoylamino)propanamide;hydrochloride is sourced from PubChem (CID 119602707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).