4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide

C23H30N2O3 — CID 26161284

IUPAC4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCCCC)cc2)c1
InChIInChI=1S/C23H30N2O3/c1-3-5-7-11-22(26)24-19-9-8-10-20(17-19)25-23(27)18-12-14-21(15-13-18)28-16-6-4-2/h8-10,12-15,17H,3-7,11,16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyKBDNSHNVDIMLMV-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.64
Rot. Bonds11

About 4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide

4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide (PubChem CID 26161284) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
PubChem CID26161284
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCCCC)cc2)c1
InChIInChI=1S/C23H30N2O3/c1-3-5-7-11-22(26)24-19-9-8-10-20(17-19)25-23(27)18-12-14-21(15-13-18)28-16-6-4-2/h8-10,12-15,17H,3-7,11,16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyKBDNSHNVDIMLMV-UHFFFAOYSA-N
XLogP5.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.64
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

N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290
N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 26161346
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 17231371
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 26161397
N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17222902
N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide
CID 2187605
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide (CID 26161284) is 4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide is CCCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCCCC)cc2)c1.
What is the InChIKey of 4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide?
The InChIKey is KBDNSHNVDIMLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-5-7-11-22(26)24-19-9-8-10-20(17-19)25-23(27)18-12-14-21(15-13-18)28-16-6-4-2/h8-10,12-15,17H,3-7,11,16H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide?
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide has a molecular weight of 382.50 g/mol, XLogP of 5.64, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide is sourced from PubChem (CID 26161284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).