N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide

C30H35N3O3 — CID 4208785

IUPACN-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(C(=O)N(NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H35N3O3/c1-2-3-4-5-6-7-14-19-28(34)31-26-22-20-25(21-23-26)30(36)33(27-17-12-9-13-18-27)32-29(35)24-15-10-8-11-16-24/h8-13,15-18,20-23H,2-7,14,19H2,1H3,(H,31,34)(H,32,35)
InChIKeyUZSPFKFNVZNLTO-UHFFFAOYSA-N
MW485.63 g/mol
LogP6.76
Rot. Bonds12

About N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide

N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide (PubChem CID 4208785) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide.

Molecular Properties

Compound NameN-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide
PubChem CID4208785
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC NameN-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide
SMILESCCCCCCCCCC(=O)Nc1ccc(C(=O)N(NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H35N3O3/c1-2-3-4-5-6-7-14-19-28(34)31-26-22-20-25(21-23-26)30(36)33(27-17-12-9-13-18-27)32-29(35)24-15-10-8-11-16-24/h8-13,15-18,20-23H,2-7,14,19H2,1H3,(H,31,34)(H,32,35)
InChIKeyUZSPFKFNVZNLTO-UHFFFAOYSA-N
XLogP6.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N,N-dimethyl-4-(octanoylamino)benzamide
CID 17231205
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide
CID 3647584
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide?
The IUPAC name of N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide (CID 4208785) is N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide.
What is the SMILES notation for N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide?
The canonical SMILES for N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide is CCCCCCCCCC(=O)Nc1ccc(C(=O)N(NC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide?
The InChIKey is UZSPFKFNVZNLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-2-3-4-5-6-7-14-19-28(34)31-26-22-20-25(21-23-26)30(36)33(27-17-12-9-13-18-27)32-29(35)24-15-10-8-11-16-24/h8-13,15-18,20-23H,2-7,14,19H2,1H3,(H,31,34)(H,32,35).
What are the key properties of N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide?
N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide has a molecular weight of 485.63 g/mol, XLogP of 6.76, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzamido(phenyl)carbamoyl]phenyl]decanamide is sourced from PubChem (CID 4208785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).