N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide

C26H34N2O2 — CID 4225123

IUPACN-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide
SMILESO=C(NN=C1CCCCCCCCCCC1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C26H34N2O2/c29-26(28-27-24-13-9-6-4-2-1-3-5-7-10-14-24)23-19-17-22(18-20-23)21-30-25-15-11-8-12-16-25/h8,11-12,15-20H,1-7,9-10,13-14,21H2,(H,28,29)
InChIKeyWVNYLRJCTSJNQU-UHFFFAOYSA-N
MW406.57 g/mol
LogP6.66
Rot. Bonds5

About N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide

N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide (PubChem CID 4225123) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide
PubChem CID4225123
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide
SMILESO=C(NN=C1CCCCCCCCCCC1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C26H34N2O2/c29-26(28-27-24-13-9-6-4-2-1-3-5-7-10-14-24)23-19-17-22(18-20-23)21-30-25-15-11-8-12-16-25/h8,11-12,15-20H,1-7,9-10,13-14,21H2,(H,28,29)
InChIKeyWVNYLRJCTSJNQU-UHFFFAOYSA-N
XLogP6.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.66
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'}

Analyze N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-chlorophenyl)methoxy]-N-(cyclododecylideneamino)benzamide
CID 162787095
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518183
N-[(1-benzylpiperidin-4-ylidene)amino]-4-(phenoxymethyl)benzamide
CID 8518184
N-(cyclododecylideneamino)benzamide
CID 4147051
N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 29154497
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide
CID 8518251
N-(cyclooctylideneamino)-4-hydroxybenzamide
CID 4218181
N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide
CID 54786851
N-(cyclohexylideneamino)-4-[(2,6-dibromo-4-methylphenoxy)methyl]benzamide
CID 3316986
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide
CID 8518193
N-(cyclohexylideneamino)-4-hexoxybenzamide
CID 4930590

Frequently Asked Questions

What is the IUPAC name of N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide?
The IUPAC name of N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide (CID 4225123) is N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide is O=C(NN=C1CCCCCCCCCCC1)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide?
The InChIKey is WVNYLRJCTSJNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c29-26(28-27-24-13-9-6-4-2-1-3-5-7-10-14-24)23-19-17-22(18-20-23)21-30-25-15-11-8-12-16-25/h8,11-12,15-20H,1-7,9-10,13-14,21H2,(H,28,29).
What are the key properties of N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide?
N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide has a molecular weight of 406.57 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclododecylideneamino)-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 4225123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).