N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide

C19H28N2O3 — CID 111490641

IUPACN-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C19H28N2O3/c1-12(2)16-9-4-6-13(3)17(16)21-19(24)18(23)20-11-14-7-5-8-15(22)10-14/h4,6,9,12,14-15,22H,5,7-8,10-11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyYSRSEQYVKKEPDI-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.72
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide

N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide (PubChem CID 111490641) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide
PubChem CID111490641
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C19H28N2O3/c1-12(2)16-9-4-6-13(3)17(16)21-19(24)18(23)20-11-14-7-5-8-15(22)10-14/h4,6,9,12,14-15,22H,5,7-8,10-11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyYSRSEQYVKKEPDI-UHFFFAOYSA-N
XLogP2.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.72
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

N'-(2,3-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490668
N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490629
N-[(3-hydroxycyclohexyl)methyl]-N'-naphthalen-2-yloxamide
CID 111490653
4-cyclopentyloxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 39885058
2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 5061547
2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 50959258
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide
CID 110858330
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
(1S,2R,3S,4S)-3-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51014204
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
1-(3,4-dimethylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472619

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide (CID 111490641) is N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide is Cc1cccc(C(C)C)c1NC(=O)C(=O)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide?
The InChIKey is YSRSEQYVKKEPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12(2)16-9-4-6-13(3)17(16)21-19(24)18(23)20-11-14-7-5-8-15(22)10-14/h4,6,9,12,14-15,22H,5,7-8,10-11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide?
N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide has a molecular weight of 332.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 111490641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).