N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide

C22H28N2O3 — CID 26161290

IUPACN-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCCC)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-3-5-6-10-21(25)23-18-8-7-9-19(16-18)24-22(26)17-11-13-20(14-12-17)27-15-4-2/h7-9,11-14,16H,3-6,10,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHLEHLZHSSTZEMA-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.25
Rot. Bonds10

About N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide

N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide (PubChem CID 26161290) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
PubChem CID26161290
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCCC)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-3-5-6-10-21(25)23-18-8-7-9-19(16-18)24-22(26)17-11-13-20(14-12-17)27-15-4-2/h7-9,11-14,16H,3-6,10,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHLEHLZHSSTZEMA-UHFFFAOYSA-N
XLogP5.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.25
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

4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 26161346
N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17222902
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-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide
CID 2187605
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971

Frequently Asked Questions

What is the IUPAC name of N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide?
The IUPAC name of N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide (CID 26161290) is N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide?
The canonical SMILES for N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide is CCCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCCC)cc2)c1.
What is the InChIKey of N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide?
The InChIKey is HLEHLZHSSTZEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-5-6-10-21(25)23-18-8-7-9-19(16-18)24-22(26)17-11-13-20(14-12-17)27-15-4-2/h7-9,11-14,16H,3-6,10,15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide?
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide has a molecular weight of 368.48 g/mol, XLogP of 5.25, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 26161290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).