N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide

C27H43N3O2 — CID 5223518

IUPACN-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
SMILESCCCCCCCCCCCC(=O)NN=C(C)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C27H43N3O2/c1-3-4-5-6-7-8-9-10-14-17-26(31)30-29-22(2)23-18-20-25(21-19-23)28-27(32)24-15-12-11-13-16-24/h18-21,24H,3-17H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyYDIXTXUUYISIGT-UHFFFAOYSA-N
MW441.66 g/mol
LogP6.97
Rot. Bonds14

About N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide

N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide (PubChem CID 5223518) has the molecular formula C27H43N3O2 and a molecular weight of 441.66 g/mol. Its IUPAC name is N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
PubChem CID5223518
Molecular FormulaC27H43N3O2
Molecular Weight441.66 g/mol
Exact Mass441.34
IUPAC NameN-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
SMILESCCCCCCCCCCCC(=O)NN=C(C)c1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C27H43N3O2/c1-3-4-5-6-7-8-9-10-14-17-26(31)30-29-22(2)23-18-20-25(21-19-23)28-27(32)24-15-12-11-13-16-24/h18-21,24H,3-17H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyYDIXTXUUYISIGT-UHFFFAOYSA-N
XLogP6.97
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.66
LogP ≤ 56.97
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-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
CID 6165307
N-[4-[C-methyl-N-(undecanoylamino)carbonimidoyl]phenyl]cyclopropanecarboxamide
CID 4619504
N,N'-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]butanediamide
CID 3344683
N-[3-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide
CID 5095870
N,N'-bis[1-[3-(cyclohexanecarbonylamino)phenyl]ethylideneamino]octanediamide
CID 4578021
5-[4-[(E)-C-methyl-N-(nonanoylamino)carbonimidoyl]anilino]-5-oxopentanoic acid
CID 6155679
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]heptanamide
CID 6379660
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
CID 6390821
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4250285
4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404

Frequently Asked Questions

What is the IUPAC name of N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide (CID 5223518) is N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide is CCCCCCCCCCCC(=O)NN=C(C)c1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide?
The InChIKey is YDIXTXUUYISIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O2/c1-3-4-5-6-7-8-9-10-14-17-26(31)30-29-22(2)23-18-20-25(21-19-23)28-27(32)24-15-12-11-13-16-24/h18-21,24H,3-17H2,1-2H3,(H,28,32)(H,30,31).
What are the key properties of N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide?
N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide has a molecular weight of 441.66 g/mol, XLogP of 6.97, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[N-(dodecanoylamino)-C-methylcarbonimidoyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 5223518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).