N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide

C16H21N3O2 — CID 76978536

IUPACN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
SMILESNC(=NO)C1CCCC1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H21N3O2/c17-14(19-21)12-7-4-8-13(12)18-15(20)16(9-10-16)11-5-2-1-3-6-11/h1-3,5-6,12-13,21H,4,7-10H2,(H2,17,19)(H,18,20)
InChIKeyPULIBZXUVGQXSD-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.75
Rot. Bonds4

About N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 76978536) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID76978536
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide
SMILESNC(=NO)C1CCCC1NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C16H21N3O2/c17-14(19-21)12-7-4-8-13(12)18-15(20)16(9-10-16)11-5-2-1-3-6-11/h1-3,5-6,12-13,21H,4,7-10H2,(H2,17,19)(H,18,20)
InChIKeyPULIBZXUVGQXSD-UHFFFAOYSA-N
XLogP1.75
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.75
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-[(1-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813061
N-[2-(aminomethyl)cyclopentyl]-1-phenylcyclobutane-1-carboxamide
CID 119602028
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
CID 76978572
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-iodobenzamide
CID 76978483
[2-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]carbamic acid
CID 138597727
N-(2-methylpiperidin-3-yl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120577312
N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
CID 120555297
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
CID 76978544
4-ethyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978571
N-(3-methylpiperidin-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 120555936
benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 143174173
N-cyclopentyloxy-1-phenylcyclopropane-1-carboxamide
CID 83206224

Frequently Asked Questions

What is the IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide (CID 76978536) is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide is NC(=NO)C1CCCC1NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is PULIBZXUVGQXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-14(19-21)12-7-4-8-13(12)18-15(20)16(9-10-16)11-5-2-1-3-6-11/h1-3,5-6,12-13,21H,4,7-10H2,(H2,17,19)(H,18,20).
What are the key properties of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide?
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.75, 4 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]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 76978536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).