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

C18H27N3O3 — CID 4953980

IUPACN-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
SMILESCCCCCC(=O)NNC(=O)c1ccc(NC(=O)CCCC)cc1
InChIInChI=1S/C18H27N3O3/c1-3-5-7-9-17(23)20-21-18(24)14-10-12-15(13-11-14)19-16(22)8-6-4-2/h10-13H,3-9H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyMPVCYRCECNGTLA-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.16
Rot. Bonds9

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

N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide (PubChem CID 4953980) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
PubChem CID4953980
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
SMILESCCCCCC(=O)NNC(=O)c1ccc(NC(=O)CCCC)cc1
InChIInChI=1S/C18H27N3O3/c1-3-5-7-9-17(23)20-21-18(24)14-10-12-15(13-11-14)19-16(22)8-6-4-2/h10-13H,3-9H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyMPVCYRCECNGTLA-UHFFFAOYSA-N
XLogP3.16
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.16
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'}

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Related Compounds

N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829
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-[(ethylcarbamothioylamino)carbamoyl]phenyl]pentanamide
CID 4930340
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
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-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697

Frequently Asked Questions

What is the IUPAC name of N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide?
The IUPAC name of N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide (CID 4953980) is N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide is CCCCCC(=O)NNC(=O)c1ccc(NC(=O)CCCC)cc1.
What is the InChIKey of N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide?
The InChIKey is MPVCYRCECNGTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-5-7-9-17(23)20-21-18(24)14-10-12-15(13-11-14)19-16(22)8-6-4-2/h10-13H,3-9H2,1-2H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide?
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide has a molecular weight of 333.43 g/mol, XLogP of 3.16, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide is sourced from PubChem (CID 4953980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).