4-butan-2-yl-N-(2-hydroxyethyl)benzamide

C13H19NO2 — CID 18724737

IUPAC4-butan-2-yl-N-(2-hydroxyethyl)benzamide
SMILESCCC(C)c1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C13H19NO2/c1-3-10(2)11-4-6-12(7-5-11)13(16)14-8-9-15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyBUCPMHJEFGWWKM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.92
Rot. Bonds5

About 4-butan-2-yl-N-(2-hydroxyethyl)benzamide

4-butan-2-yl-N-(2-hydroxyethyl)benzamide (PubChem CID 18724737) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-butan-2-yl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(2-hydroxyethyl)benzamide
PubChem CID18724737
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-butan-2-yl-N-(2-hydroxyethyl)benzamide
SMILESCCC(C)c1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C13H19NO2/c1-3-10(2)11-4-6-12(7-5-11)13(16)14-8-9-15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyBUCPMHJEFGWWKM-UHFFFAOYSA-N
XLogP1.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-butan-2-yl-N-(2-hydroxyethyl)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-(2-acetamidoethyl)-4-butan-2-ylbenzamide
CID 110761277
4-butan-2-ylbenzohydrazide
CID 83386529
N-(2-hydroxyethyl)-4-(2-methylbutylamino)benzamide
CID 43742088
4-(4-butan-2-ylphenyl)-3-(2-hydroxyethylamino)-4-oxobutanoic acid
CID 82322813
4-ethylsulfonyl-N-(2-hydroxyethyl)benzamide
CID 96664940
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
2-hydroxyethyl 4-butan-2-ylbenzoate
CID 116862879
4-(heptan-3-ylamino)-N-(2-hydroxyethyl)benzamide
CID 63944752
4-butan-2-yl-N-(trifluoromethylsulfonyl)benzamide
CID 135209714
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2-benzamidoacetate
CID 7783025
4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
CID 156799285

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-butan-2-yl-N-(2-hydroxyethyl)benzamide (CID 18724737) is 4-butan-2-yl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-butan-2-yl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-butan-2-yl-N-(2-hydroxyethyl)benzamide is CCC(C)c1ccc(C(=O)NCCO)cc1.
What is the InChIKey of 4-butan-2-yl-N-(2-hydroxyethyl)benzamide?
The InChIKey is BUCPMHJEFGWWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-10(2)11-4-6-12(7-5-11)13(16)14-8-9-15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of 4-butan-2-yl-N-(2-hydroxyethyl)benzamide?
4-butan-2-yl-N-(2-hydroxyethyl)benzamide has a molecular weight of 221.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 18724737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).