4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide

C15H21N3O2 — CID 107414832

IUPAC4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide
SMILESCC1CCC(CNC(=O)c2ccc(/C(N)=N/O)cc2)C1
InChIInChI=1S/C15H21N3O2/c1-10-2-3-11(8-10)9-17-15(19)13-6-4-12(5-7-13)14(16)18-20/h4-7,10-11,20H,2-3,8-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyHUUDEYPWIATPFB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.95
Rot. Bonds4

About 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide

4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide (PubChem CID 107414832) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide
PubChem CID107414832
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide
SMILESCC1CCC(CNC(=O)c2ccc(/C(N)=N/O)cc2)C1
InChIInChI=1S/C15H21N3O2/c1-10-2-3-11(8-10)9-17-15(19)13-6-4-12(5-7-13)14(16)18-20/h4-7,10-11,20H,2-3,8-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyHUUDEYPWIATPFB-UHFFFAOYSA-N
XLogP1.95
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.95
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

4-(ethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107415191
3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411021
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(N'-hydroxycarbamimidoyl)benzamide
CID 77017130
2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413395
N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43298902
N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43371334
(3-methylcyclopentyl)methylurea
CID 20542807
N-(2-cyclohexylethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 60916634
2-fluoro-N-[(3-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107412485
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503
4-(3-aminoprop-1-ynyl)-3-chloro-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107414997

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide?
The IUPAC name of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide (CID 107414832) is 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide?
The canonical SMILES for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide is CC1CCC(CNC(=O)c2ccc(/C(N)=N/O)cc2)C1.
What is the InChIKey of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide?
The InChIKey is HUUDEYPWIATPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-2-3-11(8-10)9-17-15(19)13-6-4-12(5-7-13)14(16)18-20/h4-7,10-11,20H,2-3,8-9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide?
4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide has a molecular weight of 275.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 107414832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).