N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide

C17H24N2O3 — CID 109399072

IUPACN-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
SMILESCCc1cccc(NC(=O)C(=O)N(C)CC2CCCC2O)c1
InChIInChI=1S/C17H24N2O3/c1-3-12-6-4-8-14(10-12)18-16(21)17(22)19(2)11-13-7-5-9-15(13)20/h4,6,8,10,13,15,20H,3,5,7,9,11H2,1-2H3,(H,18,21)
InChIKeyGGIAWALINZPDPB-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.81
Rot. Bonds4

About N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide

N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide (PubChem CID 109399072) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
PubChem CID109399072
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
SMILESCCc1cccc(NC(=O)C(=O)N(C)CC2CCCC2O)c1
InChIInChI=1S/C17H24N2O3/c1-3-12-6-4-8-14(10-12)18-16(21)17(22)19(2)11-13-7-5-9-15(13)20/h4,6,8,10,13,15,20H,3,5,7,9,11H2,1-2H3,(H,18,21)
InChIKeyGGIAWALINZPDPB-UHFFFAOYSA-N
XLogP1.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide 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-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
CID 109399042
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide
CID 109399008
N-(3-chloro-4-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109398989
3-(3-ethylsulfanylphenyl)-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
CID 97326881
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide
CID 109399018
N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399040
N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399026
N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide
CID 110003852
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-prop-2-enoxyphenyl)urea
CID 109397009
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 109397072
3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide?
The IUPAC name of N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide (CID 109399072) is N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide.
What is the SMILES notation for N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide?
The canonical SMILES for N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide is CCc1cccc(NC(=O)C(=O)N(C)CC2CCCC2O)c1.
What is the InChIKey of N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide?
The InChIKey is GGIAWALINZPDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-12-6-4-8-14(10-12)18-16(21)17(22)19(2)11-13-7-5-9-15(13)20/h4,6,8,10,13,15,20H,3,5,7,9,11H2,1-2H3,(H,18,21).
What are the key properties of N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide?
N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide has a molecular weight of 304.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide is sourced from PubChem (CID 109399072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).