N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide

C12H15N3O2 — CID 141311585

IUPACN-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(/C(N)=N/O)CC2)cc1
InChIInChI=1S/C12H15N3O2/c1-8-2-4-9(5-3-8)10(16)14-12(6-7-12)11(13)15-17/h2-5,17H,6-7H2,1H3,(H2,13,15)(H,14,16)
InChIKeyQYULXQFCXRGKNH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.00
Rot. Bonds3

About N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide

N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide (PubChem CID 141311585) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide
PubChem CID141311585
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(/C(N)=N/O)CC2)cc1
InChIInChI=1S/C12H15N3O2/c1-8-2-4-9(5-3-8)10(16)14-12(6-7-12)11(13)15-17/h2-5,17H,6-7H2,1H3,(H2,13,15)(H,14,16)
InChIKeyQYULXQFCXRGKNH-UHFFFAOYSA-N
XLogP1.00
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.00
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'}

Analyze N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-decyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide
CID 123533155
4-hexadecyl-N-[1-(N'-hydroxycarbamimidoyl)cyclopropyl]benzamide
CID 123182147
N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide
CID 104671949
4-bromo-3-fluoro-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]benzamide
CID 76914012
N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671945
3-chloro-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-4-methylthiophene-2-carboxamide
CID 103404973
4-[7-(1-adamantylmethoxy)heptyl]-N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]benzamide
CID 129231663
N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]-5-iodothiophene-3-carboxamide
CID 79684643
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77113501
N-[1-(N'-hydroxycarbamimidoyl)-4-methylcyclohexyl]-5-iodothiophene-3-carboxamide
CID 79684560
3-bromo-N-[4-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexyl]thiophene-2-carboxamide
CID 77007083
3-bromo-5-chloro-N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]benzamide
CID 107940507

Frequently Asked Questions

What is the IUPAC name of N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide?
The IUPAC name of N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide (CID 141311585) is N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide?
The canonical SMILES for N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2(/C(N)=N/O)CC2)cc1.
What is the InChIKey of N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide?
The InChIKey is QYULXQFCXRGKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-2-4-9(5-3-8)10(16)14-12(6-7-12)11(13)15-17/h2-5,17H,6-7H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide?
N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide has a molecular weight of 233.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropyl]-4-methylbenzamide is sourced from PubChem (CID 141311585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).