2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide

C13H18N4O2 — CID 64822966

IUPAC2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
SMILESNC(=O)Nc1cccc(NC(=O)C2CCCC2N)c1
InChIInChI=1S/C13H18N4O2/c14-11-6-2-5-10(11)12(18)16-8-3-1-4-9(7-8)17-13(15)19/h1,3-4,7,10-11H,2,5-6,14H2,(H,16,18)(H3,15,17,19)
InChIKeyZPGREQMMXIWBIM-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.24
Rot. Bonds3

About 2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide

2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide (PubChem CID 64822966) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
PubChem CID64822966
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
SMILESNC(=O)Nc1cccc(NC(=O)C2CCCC2N)c1
InChIInChI=1S/C13H18N4O2/c14-11-6-2-5-10(11)12(18)16-8-3-1-4-9(7-8)17-13(15)19/h1,3-4,7,10-11H,2,5-6,14H2,(H,16,18)(H3,15,17,19)
InChIKeyZPGREQMMXIWBIM-UHFFFAOYSA-N
XLogP1.24
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
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CID 163395292
2-amino-N-[3-(dimethylamino)phenyl]cycloheptane-1-carboxamide
CID 115377162
methyl 3-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64823451
2-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 64824522
5-[(2-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide
CID 64823543
2-amino-N-[3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685776
2-amino-N-(2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxamide
CID 64817762
2-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 64823330
2-amino-N-pyridin-3-ylcyclopentane-1-carboxamide
CID 64817349
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
2-amino-N-[3-(trifluoromethylsulfonyl)phenyl]cyclohexane-1-carboxamide
CID 163395369

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide (CID 64822966) is 2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide is NC(=O)Nc1cccc(NC(=O)C2CCCC2N)c1.
What is the InChIKey of 2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide?
The InChIKey is ZPGREQMMXIWBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-11-6-2-5-10(11)12(18)16-8-3-1-4-9(7-8)17-13(15)19/h1,3-4,7,10-11H,2,5-6,14H2,(H,16,18)(H3,15,17,19).
What are the key properties of 2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide?
2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 64822966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).