N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide

C23H30N2O3 — CID 132561549

IUPACN-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CCCCCc2ccccc2)c1O
InChIInChI=1S/C23H30N2O3/c1-2-3-17-24-23(28)19-14-10-15-20(22(19)27)25-21(26)16-9-5-8-13-18-11-6-4-7-12-18/h4,6-7,10-12,14-15,27H,2-3,5,8-9,13,16-17H2,1H3,(H,24,28)(H,25,26)
InChIKeyPQCKUTBXLMACQE-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.66
Rot. Bonds11

About N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide

N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide (PubChem CID 132561549) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide.

Molecular Properties

Compound NameN-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide
PubChem CID132561549
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CCCCCc2ccccc2)c1O
InChIInChI=1S/C23H30N2O3/c1-2-3-17-24-23(28)19-14-10-15-20(22(19)27)25-21(26)16-9-5-8-13-18-11-6-4-7-12-18/h4,6-7,10-12,14-15,27H,2-3,5,8-9,13,16-17H2,1H3,(H,24,28)(H,25,26)
InChIKeyPQCKUTBXLMACQE-UHFFFAOYSA-N
XLogP4.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
2-hydroxy-3-(nonanoylamino)benzoic acid
CID 104832987
N-benzyl-2-(heptanoylamino)benzamide
CID 54789241
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
3-phenylpropyl 5-oxo-5-[2-(propylcarbamoyl)anilino]pentanoate
CID 4923911
N-(4-phenylbutyl)hexanamide
CID 4985988
N-butyl-8-(4-phenylphenyl)octanamide
CID 152778485
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551
2-(hexacosanoylamino)benzoic acid
CID 123304158
2-(benzylamino)-N-butylbenzamide
CID 86102037
3-phenylpropyl 4-[2-(ethylcarbamoyl)anilino]-4-oxobutanoate
CID 4949518
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide?
The IUPAC name of N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide (CID 132561549) is N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide.
What is the SMILES notation for N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide?
The canonical SMILES for N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide is CCCCNC(=O)c1cccc(NC(=O)CCCCCc2ccccc2)c1O.
What is the InChIKey of N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide?
The InChIKey is PQCKUTBXLMACQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-2-3-17-24-23(28)19-14-10-15-20(22(19)27)25-21(26)16-9-5-8-13-18-11-6-4-7-12-18/h4,6-7,10-12,14-15,27H,2-3,5,8-9,13,16-17H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide?
N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.66, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide is sourced from PubChem (CID 132561549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).