4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide

C25H36N2O3 — CID 38028219

IUPAC4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
SMILESCC1=C[C@@H](CNC(=O)c2ccc(C)cc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1
InChIInChI=1S/C25H36N2O3/c1-17(2)23-14-21(15-24(28)27-9-11-30-12-10-27)19(4)13-22(23)16-26-25(29)20-7-5-18(3)6-8-20/h5-8,13,17,21-23H,9-12,14-16H2,1-4H3,(H,26,29)/t21-,22-,23-/m0/s1
InChIKeyZDXLQHKOJGCZOJ-VABKMULXSA-N
MW412.57 g/mol
LogP3.83
Rot. Bonds6

About 4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide

4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide (PubChem CID 38028219) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
PubChem CID38028219
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
SMILESCC1=C[C@@H](CNC(=O)c2ccc(C)cc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1
InChIInChI=1S/C25H36N2O3/c1-17(2)23-14-21(15-24(28)27-9-11-30-12-10-27)19(4)13-22(23)16-26-25(29)20-7-5-18(3)6-8-20/h5-8,13,17,21-23H,9-12,14-16H2,1-4H3,(H,26,29)/t21-,22-,23-/m0/s1
InChIKeyZDXLQHKOJGCZOJ-VABKMULXSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide with MolForge

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Related Compounds

3-methoxy-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]propanamide
CID 38028132
N-[[(1S,4S,6S)-4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-4-methoxybenzamide
CID 38026931
4-cyano-N-[[(1S,4S,6S)-3-methyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
CID 38027105
4-cyano-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzenesulfonamide
CID 38028098
ethyl 2-[(1S,4S,5S)-4-[[(4-cyanobenzoyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetate
CID 38029812
3,3-dimethyl-N-[[(1S,4S,6S)-3-methyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]butanamide
CID 38027098
N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide
CID 78150114
4-fluoro-N-[[(1S,4S,6S)-3-methyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
CID 38028361
2-[(1S,4S,5S)-4-[[(4-methoxyphenyl)carbamoylamino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 38027036
N-[[(1S,4S,6S)-3-methyl-4-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
CID 38029234
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide?
The IUPAC name of 4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide (CID 38028219) is 4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide?
The canonical SMILES for 4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide is CC1=C[C@@H](CNC(=O)c2ccc(C)cc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide?
The InChIKey is ZDXLQHKOJGCZOJ-VABKMULXSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-17(2)23-14-21(15-24(28)27-9-11-30-12-10-27)19(4)13-22(23)16-26-25(29)20-7-5-18(3)6-8-20/h5-8,13,17,21-23H,9-12,14-16H2,1-4H3,(H,26,29)/t21-,22-,23-/m0/s1.
What are the key properties of 4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide?
4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide has a molecular weight of 412.57 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(1S,4S,6S)-3-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide is sourced from PubChem (CID 38028219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).