N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide

C19H28N2O3 — CID 110003852

IUPACN'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide
SMILESCN(CC1CCCCC1O)C(=O)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H28N2O3/c1-21(14-16-11-5-6-12-17(16)22)19(24)18(23)20-13-7-10-15-8-3-2-4-9-15/h2-4,8-9,16-17,22H,5-7,10-14H2,1H3,(H,20,23)
InChIKeySHRDTUZVXFKMAR-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.74
Rot. Bonds6

About N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide

N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide (PubChem CID 110003852) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide
PubChem CID110003852
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide
SMILESCN(CC1CCCCC1O)C(=O)C(=O)NCCCc1ccccc1
InChIInChI=1S/C19H28N2O3/c1-21(14-16-11-5-6-12-17(16)22)19(24)18(23)20-13-7-10-15-8-3-2-4-9-15/h2-4,8-9,16-17,22H,5-7,10-14H2,1H3,(H,20,23)
InChIKeySHRDTUZVXFKMAR-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 109398438
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide
CID 109399018
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea
CID 75432521
3-[2-[4-(dimethylamino)phenyl]ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012105
N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399072
N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
CID 125145050
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 99578317
3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
CID 109399042
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide?
The IUPAC name of N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide (CID 110003852) is N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide.
What is the SMILES notation for N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide?
The canonical SMILES for N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide is CN(CC1CCCCC1O)C(=O)C(=O)NCCCc1ccccc1.
What is the InChIKey of N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide?
The InChIKey is SHRDTUZVXFKMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-21(14-16-11-5-6-12-17(16)22)19(24)18(23)20-13-7-10-15-8-3-2-4-9-15/h2-4,8-9,16-17,22H,5-7,10-14H2,1H3,(H,20,23).
What are the key properties of N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide?
N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide has a molecular weight of 332.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxycyclohexyl)methyl]-N'-methyl-N-(3-phenylpropyl)oxamide is sourced from PubChem (CID 110003852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).