N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide

C14H20N4O2 — CID 119601722

IUPACN-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
SMILESNCC1CCCC1NC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C14H20N4O2/c15-8-10-4-2-6-12(10)18-13(19)9-3-1-5-11(7-9)17-14(16)20/h1,3,5,7,10,12H,2,4,6,8,15H2,(H,18,19)(H3,16,17,20)
InChIKeyJEOHEBXTLBHKHI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.03
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide

N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide (PubChem CID 119601722) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
PubChem CID119601722
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
SMILESNCC1CCCC1NC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C14H20N4O2/c15-8-10-4-2-6-12(10)18-13(19)9-3-1-5-11(7-9)17-14(16)20/h1,3,5,7,10,12H,2,4,6,8,15H2,(H,18,19)(H3,16,17,20)
InChIKeyJEOHEBXTLBHKHI-UHFFFAOYSA-N
XLogP1.03
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119603184
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218
N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
CID 119600674
N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119611057
N-[2-(aminomethyl)cyclopentyl]-3-(methylsulfinylmethyl)benzamide;hydrochloride
CID 119601240
N-[2-(aminomethyl)cyclohexyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119609806
N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide
CID 119603863
N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
CID 119602999
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
CID 119609171

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide (CID 119601722) is N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide is NCC1CCCC1NC(=O)c1cccc(NC(N)=O)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide?
The InChIKey is JEOHEBXTLBHKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-8-10-4-2-6-12(10)18-13(19)9-3-1-5-11(7-9)17-14(16)20/h1,3,5,7,10,12H,2,4,6,8,15H2,(H,18,19)(H3,16,17,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide?
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide has a molecular weight of 276.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide is sourced from PubChem (CID 119601722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).