N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide

C18H26N2O3 — CID 109399008

IUPACN'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide
SMILESCC(C)c1cccc(NC(=O)C(=O)N(C)CC2CCCC2O)c1
InChIInChI=1S/C18H26N2O3/c1-12(2)13-6-4-8-15(10-13)19-17(22)18(23)20(3)11-14-7-5-9-16(14)21/h4,6,8,10,12,14,16,21H,5,7,9,11H2,1-3H3,(H,19,22)
InChIKeyJSHZTRQROCNJJJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.37
Rot. Bonds4

About N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide

N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide (PubChem CID 109399008) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide
PubChem CID109399008
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide
SMILESCC(C)c1cccc(NC(=O)C(=O)N(C)CC2CCCC2O)c1
InChIInChI=1S/C18H26N2O3/c1-12(2)13-6-4-8-15(10-13)19-17(22)18(23)20(3)11-14-7-5-9-16(14)21/h4,6,8,10,12,14,16,21H,5,7,9,11H2,1-3H3,(H,19,22)
InChIKeyJSHZTRQROCNJJJ-UHFFFAOYSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
CID 109399042
N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399072
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
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 109398085
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142489
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 109397072
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-prop-2-enoxyphenyl)urea
CID 109397009
3-[3-chloro-4-(difluoromethoxy)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396930

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide?
The IUPAC name of N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide (CID 109399008) is N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide?
The canonical SMILES for N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide is CC(C)c1cccc(NC(=O)C(=O)N(C)CC2CCCC2O)c1.
What is the InChIKey of N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide?
The InChIKey is JSHZTRQROCNJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)13-6-4-8-15(10-13)19-17(22)18(23)20(3)11-14-7-5-9-16(14)21/h4,6,8,10,12,14,16,21H,5,7,9,11H2,1-3H3,(H,19,22).
What are the key properties of N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide?
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide has a molecular weight of 318.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 109399008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).