[1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate

C26H34Cl2N2O2 — CID 4164861

IUPAC[1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate
SMILESCCCCCCCCCCCC(=NOC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C26H34Cl2N2O2/c1-3-4-5-6-7-8-9-10-11-12-25(21-15-13-20(2)14-16-21)30-32-26(31)29-22-17-18-23(27)24(28)19-22/h13-19H,3-12H2,1-2H3,(H,29,31)
InChIKeyOMKIRBNFCMKUGR-UHFFFAOYSA-N
MW477.48 g/mol
LogP9.18
Rot. Bonds13

About [1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate

[1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate (PubChem CID 4164861) has the molecular formula C26H34Cl2N2O2 and a molecular weight of 477.48 g/mol. Its IUPAC name is [1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name[1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate
PubChem CID4164861
Molecular FormulaC26H34Cl2N2O2
Molecular Weight477.48 g/mol
Exact Mass476.20
IUPAC Name[1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate
SMILESCCCCCCCCCCCC(=NOC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1
InChIInChI=1S/C26H34Cl2N2O2/c1-3-4-5-6-7-8-9-10-11-12-25(21-15-13-20(2)14-16-21)30-32-26(31)29-22-17-18-23(27)24(28)19-22/h13-19H,3-12H2,1-2H3,(H,29,31)
InChIKeyOMKIRBNFCMKUGR-UHFFFAOYSA-N
XLogP9.18
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.48
LogP ≤ 59.18
H-Bond Donors ≤ 51
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': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
[(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate
CID 6535809
[(Z)-1-(4-methylphenyl)dodecylideneamino]urea
CID 6056563
[(Z)-1-chloropropylideneamino] N-(4-methylphenyl)carbamate
CID 177405646
N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815
[2-(3,4-dichloroanilino)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 18285817
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
CID 9180166
[(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate
CID 171982927
N-[(E)-1-(4-methylphenyl)propylideneamino]decanamide
CID 6262832

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of [1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate (CID 4164861) is [1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for [1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for [1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate is CCCCCCCCCCCC(=NOC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(C)cc1.
What is the InChIKey of [1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate?
The InChIKey is OMKIRBNFCMKUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Cl2N2O2/c1-3-4-5-6-7-8-9-10-11-12-25(21-15-13-20(2)14-16-21)30-32-26(31)29-22-17-18-23(27)24(28)19-22/h13-19H,3-12H2,1-2H3,(H,29,31).
What are the key properties of [1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate?
[1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate has a molecular weight of 477.48 g/mol, XLogP of 9.18, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)dodecylideneamino] N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 4164861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).