N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide

C17H24N2O3 — CID 111490629

IUPACN'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2CCCC(O)C2)cc1C
InChIInChI=1S/C17H24N2O3/c1-11-6-7-14(8-12(11)2)19-17(22)16(21)18-10-13-4-3-5-15(20)9-13/h6-8,13,15,20H,3-5,9-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyRDFVVWWWONBKTH-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.91
Rot. Bonds3

About N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide

N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide (PubChem CID 111490629) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
PubChem CID111490629
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2CCCC(O)C2)cc1C
InChIInChI=1S/C17H24N2O3/c1-11-6-7-14(8-12(11)2)19-17(22)16(21)18-10-13-4-3-5-15(20)9-13/h6-8,13,15,20H,3-5,9-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyRDFVVWWWONBKTH-UHFFFAOYSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619
N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide
CID 111490653
N'-(2,3-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490668
1-[4-(dimethylamino)-3-methylphenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111473697
4-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]-4-oxobutanamide
CID 111460092
N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide
CID 111490641
3-(3,4-dimethylphenyl)sulfanyl-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 111460314
1-(3,4-dimethylphenyl)-3-[(1R,3S)-3-hydroxycyclohexyl]urea
CID 95983941
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
4-[(3-hydroxycyclohexyl)methylamino]-2-methylbenzoic acid
CID 106136559
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374
N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490664

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide (CID 111490629) is N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC2CCCC(O)C2)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide?
The InChIKey is RDFVVWWWONBKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-6-7-14(8-12(11)2)19-17(22)16(21)18-10-13-4-3-5-15(20)9-13/h6-8,13,15,20H,3-5,9-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide?
N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide has a molecular weight of 304.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide is sourced from PubChem (CID 111490629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).