N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide

C19H23NO3 — CID 118760660

IUPACN-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide
SMILESCCN(CCCCO)C(=O)c1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C19H23NO3/c1-2-20(13-5-6-14-21)19(23)16-11-9-15(10-12-16)17-7-3-4-8-18(17)22/h3-4,7-12,21-22H,2,5-6,13-14H2,1H3
InChIKeyKPAWTGXSYIZONS-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.29
Rot. Bonds7

About N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide

N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide (PubChem CID 118760660) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide
PubChem CID118760660
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide
SMILESCCN(CCCCO)C(=O)c1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C19H23NO3/c1-2-20(13-5-6-14-21)19(23)16-11-9-15(10-12-16)17-7-3-4-8-18(17)22/h3-4,7-12,21-22H,2,5-6,13-14H2,1H3
InChIKeyKPAWTGXSYIZONS-UHFFFAOYSA-N
XLogP3.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide 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-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
CID 107689617
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642
1-[4-(2-hydroxyphenyl)phenyl]propan-1-one
CID 19877656
CID 174412487
CID 174412487
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 115771673
N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide
CID 77096347

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide?
The IUPAC name of N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide (CID 118760660) is N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide.
What is the SMILES notation for N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide?
The canonical SMILES for N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide is CCN(CCCCO)C(=O)c1ccc(-c2ccccc2O)cc1.
What is the InChIKey of N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide?
The InChIKey is KPAWTGXSYIZONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-20(13-5-6-14-21)19(23)16-11-9-15(10-12-16)17-7-3-4-8-18(17)22/h3-4,7-12,21-22H,2,5-6,13-14H2,1H3.
What are the key properties of N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide?
N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide has a molecular weight of 313.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-hydroxybutyl)-4-(2-hydroxyphenyl)benzamide is sourced from PubChem (CID 118760660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).