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

C16H22N2O3 — CID 109399042

IUPACN'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)N(C)CC2CCCC2O)c1
InChIInChI=1S/C16H22N2O3/c1-11-5-3-7-13(9-11)17-15(20)16(21)18(2)10-12-6-4-8-14(12)19/h3,5,7,9,12,14,19H,4,6,8,10H2,1-2H3,(H,17,20)
InChIKeyJPDODIIDOVOKBP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.55
Rot. Bonds3

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

N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide (PubChem CID 109399042) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
PubChem CID109399042
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)N(C)CC2CCCC2O)c1
InChIInChI=1S/C16H22N2O3/c1-11-5-3-7-13(9-11)17-15(20)16(21)18(2)10-12-6-4-8-14(12)19/h3,5,7,9,12,14,19H,4,6,8,10H2,1-2H3,(H,17,20)
InChIKeyJPDODIIDOVOKBP-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.55
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-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399072
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
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 109398085
N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399040
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide
CID 109399018
1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-(3-methylphenyl)urea
CID 95634979
3-(3-ethylsulfanylphenyl)-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
CID 97326881
2-[(N,3-dimethylanilino)methyl]cyclopentan-1-ol
CID 62610095
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
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

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide?
The IUPAC name of N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide (CID 109399042) is N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide?
The canonical SMILES for N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)N(C)CC2CCCC2O)c1.
What is the InChIKey of N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide?
The InChIKey is JPDODIIDOVOKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-3-7-13(9-11)17-15(20)16(21)18(2)10-12-6-4-8-14(12)19/h3,5,7,9,12,14,19H,4,6,8,10H2,1-2H3,(H,17,20).
What are the key properties of N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide?
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide has a molecular weight of 290.36 g/mol, XLogP of 1.55, 3 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-methylphenyl)oxamide is sourced from PubChem (CID 109399042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).