N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide

C20H30N2O3 — CID 51671329

IUPACN-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
InChIInChI=1S/C20H30N2O3/c1-13(2)17-10-5-14(3)11-18(17)25-12-19(23)22-16-8-6-15(7-9-16)20(24)21-4/h6-9,13-14,17-18H,5,10-12H2,1-4H3,(H,21,24)(H,22,23)/t14-,17+,18-/m1/s1
InChIKeyWBJHLGYIUCJSQK-FHLIZLRMSA-N
MW346.47 g/mol
LogP3.46
Rot. Bonds6

About N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide

N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide (PubChem CID 51671329) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
PubChem CID51671329
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
InChIInChI=1S/C20H30N2O3/c1-13(2)17-10-5-14(3)11-18(17)25-12-19(23)22-16-8-6-15(7-9-16)20(24)21-4/h6-9,13-14,17-18H,5,10-12H2,1-4H3,(H,21,24)(H,22,23)/t14-,17+,18-/m1/s1
InChIKeyWBJHLGYIUCJSQK-FHLIZLRMSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide with MolForge

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Related Compounds

2-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-O-[2-oxo-2-(4-propoxycarbonylanilino)ethyl] benzene-1,2-dicarboxylate
CID 124580039
N-ethyl-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]benzamide
CID 166206981
N-[4-[[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 42939618
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl] 4-acetamidobenzoate
CID 25402370
N-(4,5-dimethoxy-2-methylphenyl)-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 124743972
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide
CID 167875838
N-[2-(methylamino)propyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 120829592
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 166180590
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide (CID 51671329) is N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1.
What is the InChIKey of N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide?
The InChIKey is WBJHLGYIUCJSQK-FHLIZLRMSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-13(2)17-10-5-14(3)11-18(17)25-12-19(23)22-16-8-6-15(7-9-16)20(24)21-4/h6-9,13-14,17-18H,5,10-12H2,1-4H3,(H,21,24)(H,22,23)/t14-,17+,18-/m1/s1.
What are the key properties of N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide?
N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide has a molecular weight of 346.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]benzamide is sourced from PubChem (CID 51671329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).