N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide

C20H31N3O3 — CID 4958829

IUPACN-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
SMILESCCCCCCCC(=O)NNC(=O)c1ccc(NC(=O)CCCC)cc1
InChIInChI=1S/C20H31N3O3/c1-3-5-7-8-9-11-19(25)22-23-20(26)16-12-14-17(15-13-16)21-18(24)10-6-4-2/h12-15H,3-11H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyBCPIUHLULMIEIX-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.94
Rot. Bonds11

About N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide

N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide (PubChem CID 4958829) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
PubChem CID4958829
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
SMILESCCCCCCCC(=O)NNC(=O)c1ccc(NC(=O)CCCC)cc1
InChIInChI=1S/C20H31N3O3/c1-3-5-7-8-9-11-19(25)22-23-20(26)16-12-14-17(15-13-16)21-18(24)10-6-4-2/h12-15H,3-11H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyBCPIUHLULMIEIX-UHFFFAOYSA-N
XLogP3.94
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.94
H-Bond Donors ≤ 53
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'}

Analyze N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide 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

N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980
N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
CID 4926555
2-methyl-N-[4-[(tetradecanoylamino)carbamoyl]phenyl]propanamide
CID 54792173
4-tert-butyl-N-[4-[(octanoylamino)carbamoyl]phenyl]benzamide
CID 4958813
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N-[4-[(ethylcarbamothioylamino)carbamoyl]phenyl]pentanamide
CID 4930340
N'-heptanoylbenzohydrazide
CID 4218130
N'-octanoylbenzohydrazide
CID 4227469

Frequently Asked Questions

What is the IUPAC name of N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide?
The IUPAC name of N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide (CID 4958829) is N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide is CCCCCCCC(=O)NNC(=O)c1ccc(NC(=O)CCCC)cc1.
What is the InChIKey of N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide?
The InChIKey is BCPIUHLULMIEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-5-7-8-9-11-19(25)22-23-20(26)16-12-14-17(15-13-16)21-18(24)10-6-4-2/h12-15H,3-11H2,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide?
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide has a molecular weight of 361.49 g/mol, XLogP of 3.94, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide is sourced from PubChem (CID 4958829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).