N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide

C13H15N3O2 — CID 165460031

IUPACN-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide
SMILES[H]/N=C(/NC(=O)c1ccccc1)NC(=O)C1(C)CC1
InChIInChI=1S/C13H15N3O2/c1-13(7-8-13)11(18)16-12(14)15-10(17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,14,15,16,17,18)
InChIKeyLIYHDCFNXGKANK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.27
Rot. Bonds2

About N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide

N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide (PubChem CID 165460031) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide
PubChem CID165460031
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide
SMILES[H]/N=C(/NC(=O)c1ccccc1)NC(=O)C1(C)CC1
InChIInChI=1S/C13H15N3O2/c1-13(7-8-13)11(18)16-12(14)15-10(17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,14,15,16,17,18)
InChIKeyLIYHDCFNXGKANK-UHFFFAOYSA-N
XLogP1.27
TPSA82.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.27
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'}

Analyze N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide 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

methyl N-benzoylcarbamimidothioate
CID 138962835
(2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 141351303
N-butanimidoylbenzamide
CID 174644030
N-methylbenzamide
CID 11954
[(Z)-[amino(phenyl)methylidene]amino] N-benzoylcarbamimidate
CID 177438943
N-(N-sulfonylcarbamimidoyl)benzamide
CID 140977847
(E)-2-benzamidobut-2-enoic acid
CID 15472529
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide
CID 145162824
N-penta-1,3-dien-3-ylbenzamide
CID 76693459

Frequently Asked Questions

What is the IUPAC name of N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide?
The IUPAC name of N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide (CID 165460031) is N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide.
What is the SMILES notation for N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide?
The canonical SMILES for N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide is [H]/N=C(/NC(=O)c1ccccc1)NC(=O)C1(C)CC1.
What is the InChIKey of N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide?
The InChIKey is LIYHDCFNXGKANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(7-8-13)11(18)16-12(14)15-10(17)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H3,14,15,16,17,18).
What are the key properties of N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide?
N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(1-methylcyclopropanecarbonyl)carbamimidoyl]benzamide is sourced from PubChem (CID 165460031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).