N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide

C23H35N3O2 — CID 4619504

IUPACN-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
SMILESCCCCCCCCCCC(=O)NN=C(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H35N3O2/c1-3-4-5-6-7-8-9-10-11-22(27)26-25-18(2)19-14-16-21(17-15-19)24-23(28)20-12-13-20/h14-17,20H,3-13H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyCKEBYTHBMIWGCU-UHFFFAOYSA-N
MW385.55 g/mol
LogP5.41
Rot. Bonds13

About N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide

N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide (PubChem CID 4619504) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
PubChem CID4619504
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
SMILESCCCCCCCCCCC(=O)NN=C(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H35N3O2/c1-3-4-5-6-7-8-9-10-11-22(27)26-25-18(2)19-14-16-21(17-15-19)24-23(28)20-12-13-20/h14-17,20H,3-13H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyCKEBYTHBMIWGCU-UHFFFAOYSA-N
XLogP5.41
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide 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

N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
CID 6165307
N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
CID 5223518
5-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-5-oxopentanoic acid
CID 6155679
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683
N-[3-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
CID 5095870
N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide
CID 6379660
4-chloro-N-[4-[N-(hexanoylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5075525
N-[1-(4-chlorophenyl)ethylideneamino]dodecanamide
CID 3558408
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
N-[1-(4-ethylphenyl)ethylideneamino]nonanamide
CID 4685925
N-[(E)-1-(4-aminophenyl)ethylideneamino]decanamide
CID 6177715
N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide
CID 6015814

Frequently Asked Questions

What is the IUPAC name of N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide (CID 4619504) is N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide is CCCCCCCCCCC(=O)NN=C(C)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is CKEBYTHBMIWGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-3-4-5-6-7-8-9-10-11-22(27)26-25-18(2)19-14-16-21(17-15-19)24-23(28)20-12-13-20/h14-17,20H,3-13H2,1-2H3,(H,24,28)(H,26,27).
What are the key properties of N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide?
N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 385.55 g/mol, XLogP of 5.41, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 4619504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).