N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide

C15H21N3O2 — CID 76978572

IUPACN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
SMILESNC(=NO)C1CCCC1NC(=O)CCc1ccccc1
InChIInChI=1S/C15H21N3O2/c16-15(18-20)12-7-4-8-13(12)17-14(19)10-9-11-5-2-1-3-6-11/h1-3,5-6,12-13,20H,4,7-10H2,(H2,16,18)(H,17,19)
InChIKeyXQPOLXFEHKCQEY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.65
Rot. Bonds5

About N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide (PubChem CID 76978572) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
PubChem CID76978572
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
SMILESNC(=NO)C1CCCC1NC(=O)CCc1ccccc1
InChIInChI=1S/C15H21N3O2/c16-15(18-20)12-7-4-8-13(12)17-14(19)10-9-11-5-2-1-3-6-11/h1-3,5-6,12-13,20H,4,7-10H2,(H2,16,18)(H,17,19)
InChIKeyXQPOLXFEHKCQEY-UHFFFAOYSA-N
XLogP1.65
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-phenylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 126584625
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
N-(2-tert-butylcyclohexyl)-3-phenylpropanamide
CID 17147377
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
CID 76978544
2-(3-pyridin-3-ylpropanoylamino)cyclopentane-1-carboxamide
CID 71989741
N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62961970
N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
CID 62955876
2-cyclopropyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76978603
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
CID 76978536
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064
N-[(1R,2R)-2-(furan-2-ylmethyl)cyclohexyl]-3-phenylpropanamide
CID 40505929
cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide
CID 96519273

Frequently Asked Questions

What is the IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide (CID 76978572) is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide is NC(=NO)C1CCCC1NC(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide?
The InChIKey is XQPOLXFEHKCQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-15(18-20)12-7-4-8-13(12)17-14(19)10-9-11-5-2-1-3-6-11/h1-3,5-6,12-13,20H,4,7-10H2,(H2,16,18)(H,17,19).
What are the key properties of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide?
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide is sourced from PubChem (CID 76978572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).