N-[(4-propylcyclohexylidene)amino]undecanamide

C20H38N2O — CID 4226269

IUPACN-[(4-propylcyclohexylidene)amino]undecanamide
SMILESCCCCCCCCCCC(=O)NN=C1CCC(CCC)CC1
InChIInChI=1S/C20H38N2O/c1-3-5-6-7-8-9-10-11-13-20(23)22-21-19-16-14-18(12-4-2)15-17-19/h18H,3-17H2,1-2H3,(H,22,23)/b21-19-
InChIKeyPHBIGSQNCZZVGP-VZCXRCSSSA-N
MW322.54 g/mol
LogP5.98
Rot. Bonds12

About N-[(4-propylcyclohexylidene)amino]undecanamide

N-[(4-propylcyclohexylidene)amino]undecanamide (PubChem CID 4226269) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is N-[(4-propylcyclohexylidene)amino]undecanamide.

Molecular Properties

Compound NameN-[(4-propylcyclohexylidene)amino]undecanamide
PubChem CID4226269
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC NameN-[(4-propylcyclohexylidene)amino]undecanamide
SMILESCCCCCCCCCCC(=O)NN=C1CCC(CCC)CC1
InChIInChI=1S/C20H38N2O/c1-3-5-6-7-8-9-10-11-13-20(23)22-21-19-16-14-18(12-4-2)15-17-19/h18H,3-17H2,1-2H3,(H,22,23)/b21-19-
InChIKeyPHBIGSQNCZZVGP-VZCXRCSSSA-N
XLogP5.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(cyclododecylideneamino)dodecanamide
CID 4575376
N,N'-bis[(4-propylcyclohexylidene)amino]oxamide
CID 3378512
N,N'-bis[(4-methylcyclohexylidene)amino]heptanediamide
CID 3519656
N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide
CID 4149698
[(4-butylcyclohexylidene)amino]urea
CID 165349079
N-[(1-propylpiperidin-4-ylidene)amino]octanamide
CID 4109987
N-(cycloheptylideneamino)pentanamide
CID 3533607
N-[(3-methylcyclohexylidene)amino]hexanamide
CID 3593486
N,N'-bis(cyclohexylideneamino)heptanediamide
CID 4048049
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide
CID 3293640
1-(4-propylcyclohexyl)decan-1-one
CID 65424252
8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid
CID 23948167

Frequently Asked Questions

What is the IUPAC name of N-[(4-propylcyclohexylidene)amino]undecanamide?
The IUPAC name of N-[(4-propylcyclohexylidene)amino]undecanamide (CID 4226269) is N-[(4-propylcyclohexylidene)amino]undecanamide.
What is the SMILES notation for N-[(4-propylcyclohexylidene)amino]undecanamide?
The canonical SMILES for N-[(4-propylcyclohexylidene)amino]undecanamide is CCCCCCCCCCC(=O)NN=C1CCC(CCC)CC1.
What is the InChIKey of N-[(4-propylcyclohexylidene)amino]undecanamide?
The InChIKey is PHBIGSQNCZZVGP-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H38N2O/c1-3-5-6-7-8-9-10-11-13-20(23)22-21-19-16-14-18(12-4-2)15-17-19/h18H,3-17H2,1-2H3,(H,22,23)/b21-19-.
What are the key properties of N-[(4-propylcyclohexylidene)amino]undecanamide?
N-[(4-propylcyclohexylidene)amino]undecanamide has a molecular weight of 322.54 g/mol, XLogP of 5.98, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propylcyclohexylidene)amino]undecanamide is sourced from PubChem (CID 4226269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).