N-(cyclododecylideneamino)benzamide

C19H28N2O — CID 4147051

IUPACN-(cyclododecylideneamino)benzamide
SMILESO=C(NN=C1CCCCCCCCCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c22-19(17-13-9-8-10-14-17)21-20-18-15-11-6-4-2-1-3-5-7-12-16-18/h8-10,13-14H,1-7,11-12,15-16H2,(H,21,22)
InChIKeyUWNCRJMZLFGLPY-UHFFFAOYSA-N
MW300.45 g/mol
LogP5.08
Rot. Bonds2

About N-(cyclododecylideneamino)benzamide

N-(cyclododecylideneamino)benzamide (PubChem CID 4147051) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(cyclododecylideneamino)benzamide.

Molecular Properties

Compound NameN-(cyclododecylideneamino)benzamide
PubChem CID4147051
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-(cyclododecylideneamino)benzamide
SMILESO=C(NN=C1CCCCCCCCCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c22-19(17-13-9-8-10-14-17)21-20-18-15-11-6-4-2-1-3-5-7-12-16-18/h8-10,13-14H,1-7,11-12,15-16H2,(H,21,22)
InChIKeyUWNCRJMZLFGLPY-UHFFFAOYSA-N
XLogP5.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclooctylideneamino)-4-hydroxybenzamide
CID 4218181
N-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256
N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide
CID 4225123
N-(cycloheptylideneamino)pyridine-3-carboxamide
CID 4131498
N-(cyclododecylideneamino)-3-methylbenzamide
CID 4110960
4-acetamido-N-(cyclohexylideneamino)benzamide
CID 4510356
N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 828144
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]benzamide
CID 9410916
N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid
CID 139196016
N-(cycloheptylideneamino)-3-methoxybenzamide
CID 3610862
N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide
CID 156598002

Frequently Asked Questions

What is the IUPAC name of N-(cyclododecylideneamino)benzamide?
The IUPAC name of N-(cyclododecylideneamino)benzamide (CID 4147051) is N-(cyclododecylideneamino)benzamide.
What is the SMILES notation for N-(cyclododecylideneamino)benzamide?
The canonical SMILES for N-(cyclododecylideneamino)benzamide is O=C(NN=C1CCCCCCCCCCC1)c1ccccc1.
What is the InChIKey of N-(cyclododecylideneamino)benzamide?
The InChIKey is UWNCRJMZLFGLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c22-19(17-13-9-8-10-14-17)21-20-18-15-11-6-4-2-1-3-5-7-12-16-18/h8-10,13-14H,1-7,11-12,15-16H2,(H,21,22).
What are the key properties of N-(cyclododecylideneamino)benzamide?
N-(cyclododecylideneamino)benzamide has a molecular weight of 300.45 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclododecylideneamino)benzamide is sourced from PubChem (CID 4147051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).