3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide

C17H26ClNO2 — CID 103843609

IUPAC3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
SMILESCCC(CC)(CO)CNC(=O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H26ClNO2/c1-4-17(5-2,12-20)11-19-16(21)9-8-14-7-6-13(3)15(18)10-14/h6-7,10,20H,4-5,8-9,11-12H2,1-3H3,(H,19,21)
InChIKeyARDQKJYYMCYTPW-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.50
Rot. Bonds8

About 3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide

3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide (PubChem CID 103843609) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
PubChem CID103843609
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
SMILESCCC(CC)(CO)CNC(=O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C17H26ClNO2/c1-4-17(5-2,12-20)11-19-16(21)9-8-14-7-6-13(3)15(18)10-14/h6-7,10,20H,4-5,8-9,11-12H2,1-3H3,(H,19,21)
InChIKeyARDQKJYYMCYTPW-UHFFFAOYSA-N
XLogP3.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide
CID 106166158
N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide
CID 113227506
3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418633
3-(3-chloro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027775
2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
CID 103843830
(2S)-2-[3-(3-chloro-4-methylphenyl)propanoylamino]hexanoic acid
CID 107144182
3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide
CID 32770995
3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46679807
2-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylpentanoic acid
CID 43619035
3-(3,4-difluorophenyl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114649
3-(3,4-difluorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66169617
N-[2-(chloromethyl)-2-ethylbutyl]-3-phenylpropanamide
CID 106253806

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide (CID 103843609) is 3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide is CCC(CC)(CO)CNC(=O)CCc1ccc(C)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide?
The InChIKey is ARDQKJYYMCYTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-4-17(5-2,12-20)11-19-16(21)9-8-14-7-6-13(3)15(18)10-14/h6-7,10,20H,4-5,8-9,11-12H2,1-3H3,(H,19,21).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide?
3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide has a molecular weight of 311.85 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide is sourced from PubChem (CID 103843609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).