N-benzyl-N'-(4-methylphenyl)decanediamide

C24H32N2O2 — CID 173311347

IUPACN-benzyl-N'-(4-methylphenyl)decanediamide
SMILESCc1ccc(NC(=O)CCCCCCCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H32N2O2/c1-20-15-17-22(18-16-20)26-24(28)14-10-5-3-2-4-9-13-23(27)25-19-21-11-7-6-8-12-21/h6-8,11-12,15-18H,2-5,9-10,13-14,19H2,1H3,(H,25,27)(H,26,28)
InChIKeyUJDHTCBBHNFJST-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.37
Rot. Bonds12

About N-benzyl-N'-(4-methylphenyl)decanediamide

N-benzyl-N'-(4-methylphenyl)decanediamide (PubChem CID 173311347) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-benzyl-N'-(4-methylphenyl)decanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(4-methylphenyl)decanediamide
PubChem CID173311347
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-benzyl-N'-(4-methylphenyl)decanediamide
SMILESCc1ccc(NC(=O)CCCCCCCCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H32N2O2/c1-20-15-17-22(18-16-20)26-24(28)14-10-5-3-2-4-9-13-23(27)25-19-21-11-7-6-8-12-21/h6-8,11-12,15-18H,2-5,9-10,13-14,19H2,1H3,(H,25,27)(H,26,28)
InChIKeyUJDHTCBBHNFJST-UHFFFAOYSA-N
XLogP5.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-benzylundecanamide
CID 5078198
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
CID 45254124
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
(4-methylphenyl) 5-(benzylamino)-5-oxopentanoate
CID 134872347
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide
CID 87018702

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(4-methylphenyl)decanediamide?
The IUPAC name of N-benzyl-N'-(4-methylphenyl)decanediamide (CID 173311347) is N-benzyl-N'-(4-methylphenyl)decanediamide.
What is the SMILES notation for N-benzyl-N'-(4-methylphenyl)decanediamide?
The canonical SMILES for N-benzyl-N'-(4-methylphenyl)decanediamide is Cc1ccc(NC(=O)CCCCCCCCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N'-(4-methylphenyl)decanediamide?
The InChIKey is UJDHTCBBHNFJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-20-15-17-22(18-16-20)26-24(28)14-10-5-3-2-4-9-13-23(27)25-19-21-11-7-6-8-12-21/h6-8,11-12,15-18H,2-5,9-10,13-14,19H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-benzyl-N'-(4-methylphenyl)decanediamide?
N-benzyl-N'-(4-methylphenyl)decanediamide has a molecular weight of 380.53 g/mol, XLogP of 5.37, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(4-methylphenyl)decanediamide is sourced from PubChem (CID 173311347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).