N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide

C17H24N2O3 — CID 124605769

IUPACN-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-12-7-3-5-9-14(12)19-17(21)16(20)18-11-13-8-4-6-10-15(13)22-2/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3,(H,18,20)(H,19,21)/t12-,14-/m0/s1
InChIKeyLFRKPJOAMBQZDX-JSGCOSHPSA-N
MW304.39 g/mol
LogP2.01
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide

N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide (PubChem CID 124605769) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide
PubChem CID124605769
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-12-7-3-5-9-14(12)19-17(21)16(20)18-11-13-8-4-6-10-15(13)22-2/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3,(H,18,20)(H,19,21)/t12-,14-/m0/s1
InChIKeyLFRKPJOAMBQZDX-JSGCOSHPSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Safinamide
CID 131682
Priralfinamide
CID 5745207
CP-100263
CID 9796216
CP-99994
CID 5311057
2-({[4-(Benzyloxy)phenyl]methyl}amino)acetamide
CID 10588118
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-4-methylphenyl)methyl)amino)-6-methyl-
CID 454368
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-5-methylphenyl)methyl)amino)-6-methyl-
CID 454369
2(1H)-Pyridinone, 5-ethyl-3-(((5-ethyl-2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454372
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454348
2(1H)-Pyridinone, 3-(((2-ethoxyphenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454350
2(1H)-Pyridinone, 5-ethyl-3-(((4-ethyl-2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454371
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
CID 5487407

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide (CID 124605769) is N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide is COc1ccccc1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide?
The InChIKey is LFRKPJOAMBQZDX-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-7-3-5-9-14(12)19-17(21)16(20)18-11-13-8-4-6-10-15(13)22-2/h4,6,8,10,12,14H,3,5,7,9,11H2,1-2H3,(H,18,20)(H,19,21)/t12-,14-/m0/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide?
N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide has a molecular weight of 304.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide is sourced from PubChem (CID 124605769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).