N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide

C19H28N2O2 — CID 54786851

IUPACN-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NN=C2CCCCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-15(2)14-23-18-12-10-16(11-13-18)19(22)21-20-17-8-6-4-3-5-7-9-17/h10-13,15H,3-9,14H2,1-2H3,(H,21,22)
InChIKeyGLVQYCUYXRRWEA-UHFFFAOYSA-N
MW316.44 g/mol
LogP4.55
Rot. Bonds5

About N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide

N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide (PubChem CID 54786851) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide
PubChem CID54786851
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)NN=C2CCCCCCC2)cc1
InChIInChI=1S/C19H28N2O2/c1-15(2)14-23-18-12-10-16(11-13-18)19(22)21-20-17-8-6-4-3-5-7-9-17/h10-13,15H,3-9,14H2,1-2H3,(H,21,22)
InChIKeyGLVQYCUYXRRWEA-UHFFFAOYSA-N
XLogP4.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(cyclohexylideneamino)-4-hexoxybenzamide
CID 4930590
4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
CID 162787095
N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide
CID 4225123
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
N-(cyclooctylideneamino)-4-hydroxybenzamide
CID 4218181
N-(cyclododecylideneamino)benzamide
CID 4147051
4-acetamido-N-(cyclohexylideneamino)benzamide
CID 4510356
N-(cyclohexylideneamino)-4-(diethylamino)benzamide
CID 7929020
4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
CID 4929975
N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4929974
N-[1-(4-chlorophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4930013
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide (CID 54786851) is N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)NN=C2CCCCCCC2)cc1.
What is the InChIKey of N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide?
The InChIKey is GLVQYCUYXRRWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15(2)14-23-18-12-10-16(11-13-18)19(22)21-20-17-8-6-4-3-5-7-9-17/h10-13,15H,3-9,14H2,1-2H3,(H,21,22).
What are the key properties of N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide?
N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide has a molecular weight of 316.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 54786851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).