N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide

C18H28N2O3 — CID 109381094

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NCC(C)(C)C(O)C(C)C)c1
InChIInChI=1S/C18H28N2O3/c1-6-15(21)20-14-9-7-8-13(10-14)17(23)19-11-18(4,5)16(22)12(2)3/h7-10,12,16,22H,6,11H2,1-5H3,(H,19,23)(H,20,21)
InChIKeyCZPKRQNIKIHOAD-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.81
Rot. Bonds7

About N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide (PubChem CID 109381094) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide
PubChem CID109381094
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NCC(C)(C)C(O)C(C)C)c1
InChIInChI=1S/C18H28N2O3/c1-6-15(21)20-14-9-7-8-13(10-14)17(23)19-11-18(4,5)16(22)12(2)3/h7-10,12,16,22H,6,11H2,1-5H3,(H,19,23)(H,20,21)
InChIKeyCZPKRQNIKIHOAD-UHFFFAOYSA-N
XLogP2.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)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

3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide
CID 109380818
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307
N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide
CID 17309747
3-(propanoylamino)-N-prop-2-enylbenzamide
CID 47265411
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 17309759
N-(3-acetylphenyl)propanamide
CID 903063
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
N-[[1-(4-hydroxybutan-2-yl)cyclobutyl]methyl]-3-(propanoylamino)benzamide
CID 75444735

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide (CID 109381094) is N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)NCC(C)(C)C(O)C(C)C)c1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide?
The InChIKey is CZPKRQNIKIHOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-6-15(21)20-14-9-7-8-13(10-14)17(23)19-11-18(4,5)16(22)12(2)3/h7-10,12,16,22H,6,11H2,1-5H3,(H,19,23)(H,20,21).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide has a molecular weight of 320.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide is sourced from PubChem (CID 109381094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).