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

C21H31N3O2 — CID 6165307

IUPACN-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
SMILESCCCCCCCCC(=O)N/N=C(\C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H31N3O2/c1-3-4-5-6-7-8-9-20(25)24-23-16(2)17-12-14-19(15-13-17)22-21(26)18-10-11-18/h12-15,18H,3-11H2,1-2H3,(H,22,26)(H,24,25)/b23-16+
InChIKeyHRDMFDHWQNLOAH-XQNSMLJCSA-N
MW357.50 g/mol
LogP4.63
Rot. Bonds11

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

N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide (PubChem CID 6165307) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
PubChem CID6165307
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
SMILESCCCCCCCCC(=O)N/N=C(\C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H31N3O2/c1-3-4-5-6-7-8-9-20(25)24-23-16(2)17-12-14-19(15-13-17)22-21(26)18-10-11-18/h12-15,18H,3-11H2,1-2H3,(H,22,26)(H,24,25)/b23-16+
InChIKeyHRDMFDHWQNLOAH-XQNSMLJCSA-N
XLogP4.63
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.63
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'}

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Related Compounds

N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
CID 4619504
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]nonanamide
CID 4685925
N-[1-(4-ethylphenyl)ethylideneamino]heptanamide
CID 3659452
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-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide (CID 6165307) is N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide is CCCCCCCCC(=O)N/N=C(\C)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is HRDMFDHWQNLOAH-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-4-5-6-7-8-9-20(25)24-23-16(2)17-12-14-19(15-13-17)22-21(26)18-10-11-18/h12-15,18H,3-11H2,1-2H3,(H,22,26)(H,24,25)/b23-16+.
What are the key properties of N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide?
N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 357.50 g/mol, XLogP of 4.63, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 6165307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).