N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide

C17H26N2O3 — CID 50971913

IUPACN'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide
SMILESCCc1cccc(NC(=O)CCC(=O)NCC(C)(C)CO)c1
InChIInChI=1S/C17H26N2O3/c1-4-13-6-5-7-14(10-13)19-16(22)9-8-15(21)18-11-17(2,3)12-20/h5-7,10,20H,4,8-9,11-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyFXOZJRAESXLMGN-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.10
Rot. Bonds8

About N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide

N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide (PubChem CID 50971913) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide.

Molecular Properties

Compound NameN'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide
PubChem CID50971913
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide
SMILESCCc1cccc(NC(=O)CCC(=O)NCC(C)(C)CO)c1
InChIInChI=1S/C17H26N2O3/c1-4-13-6-5-7-14(10-13)19-16(22)9-8-15(21)18-11-17(2,3)12-20/h5-7,10,20H,4,8-9,11-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyFXOZJRAESXLMGN-UHFFFAOYSA-N
XLogP2.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide 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

2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
N-(3-ethylphenyl)decanamide
CID 4053743
N'-[1-(dimethylamino)propan-2-yl]-N-(3-ethylphenyl)butanediamide
CID 50963110
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119312069
N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
CID 62197477
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415
N-(3-ethylphenyl)-4-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 131900461
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 110965772

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide?
The IUPAC name of N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide (CID 50971913) is N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide.
What is the SMILES notation for N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide?
The canonical SMILES for N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide is CCc1cccc(NC(=O)CCC(=O)NCC(C)(C)CO)c1.
What is the InChIKey of N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide?
The InChIKey is FXOZJRAESXLMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-13-6-5-7-14(10-13)19-16(22)9-8-15(21)18-11-17(2,3)12-20/h5-7,10,20H,4,8-9,11-12H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide?
N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide has a molecular weight of 306.41 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethylphenyl)-N-(3-hydroxy-2,2-dimethylpropyl)butanediamide is sourced from PubChem (CID 50971913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).