4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide

C30H43N3O3 — CID 3647584

IUPAC4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide
SMILESCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1
InChIInChI=1S/C30H43N3O3/c1-6-7-8-9-10-11-12-13-28(34)31-26-18-14-24(15-19-26)29(35)32-27-20-16-25(17-21-27)30(36)33(22(2)3)23(4)5/h14-23H,6-13H2,1-5H3,(H,31,34)(H,32,35)
InChIKeySWAVJLGXNDAZRI-UHFFFAOYSA-N
MW493.69 g/mol
LogP7.28
Rot. Bonds14

About 4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide

4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide (PubChem CID 3647584) has the molecular formula C30H43N3O3 and a molecular weight of 493.69 g/mol. Its IUPAC name is 4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide
PubChem CID3647584
Molecular FormulaC30H43N3O3
Molecular Weight493.69 g/mol
Exact Mass493.33
IUPAC Name4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide
SMILESCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1
InChIInChI=1S/C30H43N3O3/c1-6-7-8-9-10-11-12-13-28(34)31-26-18-14-24(15-19-26)29(35)32-27-20-16-25(17-21-27)30(36)33(22(2)3)23(4)5/h14-23H,6-13H2,1-5H3,(H,31,34)(H,32,35)
InChIKeySWAVJLGXNDAZRI-UHFFFAOYSA-N
XLogP7.28
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.69
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N,N-dimethyl-4-(octanoylamino)benzamide
CID 17231205
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
4-(propanoylamino)-N,N-di(propan-2-yl)benzamide
CID 110178310
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide
CID 3669912
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980

Frequently Asked Questions

What is the IUPAC name of 4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide?
The IUPAC name of 4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide (CID 3647584) is 4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide is CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1.
What is the InChIKey of 4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide?
The InChIKey is SWAVJLGXNDAZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O3/c1-6-7-8-9-10-11-12-13-28(34)31-26-18-14-24(15-19-26)29(35)32-27-20-16-25(17-21-27)30(36)33(22(2)3)23(4)5/h14-23H,6-13H2,1-5H3,(H,31,34)(H,32,35).
What are the key properties of 4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide?
4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide has a molecular weight of 493.69 g/mol, XLogP of 7.28, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 3647584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).