N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide

C18H26N2O3 — CID 124624773

IUPACN-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C18H26N2O3/c1-3-12-23-15-10-8-14(9-11-15)19-17(21)18(22)20-16-7-5-4-6-13(16)2/h8-11,13,16H,3-7,12H2,1-2H3,(H,19,21)(H,20,22)/t13-,16-/m0/s1
InChIKeyOZRKEYHBSIOAKK-BBRMVZONSA-N
MW318.42 g/mol
LogP3.11
Rot. Bonds5

About N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide

N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide (PubChem CID 124624773) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide
PubChem CID124624773
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide
SMILESCCCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1
InChIInChI=1S/C18H26N2O3/c1-3-12-23-15-10-8-14(9-11-15)19-17(21)18(22)20-16-7-5-4-6-13(16)2/h8-11,13,16H,3-7,12H2,1-2H3,(H,19,21)(H,20,22)/t13-,16-/m0/s1
InChIKeyOZRKEYHBSIOAKK-BBRMVZONSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.11
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

1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 7941815
2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7203614
N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762
N-(4-ethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzamide
CID 8614526
N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
CID 2926686
3-cyclohexyl-N-(4-propoxyphenyl)propanamide
CID 110493363
N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9253004
N-(2-hydroxyethyl)-N'-(4-propoxyphenyl)oxamide
CID 124624780
N'-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)oxamide
CID 3220604
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 7411340
N-[(4-propoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 4943225

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide (CID 124624773) is N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide is CCCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide?
The InChIKey is OZRKEYHBSIOAKK-BBRMVZONSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-12-23-15-10-8-14(9-11-15)19-17(21)18(22)20-16-7-5-4-6-13(16)2/h8-11,13,16H,3-7,12H2,1-2H3,(H,19,21)(H,20,22)/t13-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide?
N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide has a molecular weight of 318.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-N'-(4-propoxyphenyl)oxamide is sourced from PubChem (CID 124624773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).