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

C24H36N2O4 — CID 38027702

IUPAC2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
SMILESCOCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccccc2OC)C=C1C
InChIInChI=1S/C24H36N2O4/c1-16(2)21-13-18(14-23(27)25-10-11-29-4)17(3)12-19(21)15-26-24(28)20-8-6-7-9-22(20)30-5/h6-9,12,16,18-19,21H,10-11,13-15H2,1-5H3,(H,25,27)(H,26,28)/t18-,19-,21-/m0/s1
InChIKeyNENIHLRILNZXOP-ZJOUEHCJSA-N
MW416.56 g/mol
LogP3.43
Rot. Bonds10

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

2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide (PubChem CID 38027702) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is 2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
PubChem CID38027702
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
SMILESCOCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccccc2OC)C=C1C
InChIInChI=1S/C24H36N2O4/c1-16(2)21-13-18(14-23(27)25-10-11-29-4)17(3)12-19(21)15-26-24(28)20-8-6-7-9-22(20)30-5/h6-9,12,16,18-19,21H,10-11,13-15H2,1-5H3,(H,25,27)(H,26,28)/t18-,19-,21-/m0/s1
InChIKeyNENIHLRILNZXOP-ZJOUEHCJSA-N
XLogP3.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986
2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108538105
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
2-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 47101310
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
CID 108570753
2-methoxy-N-[[(1S,4R,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethanamine
CID 162798992
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
CID 58370506
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
N-butan-2-yl-2-methoxybenzamide
CID 3117660
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide (CID 38027702) is 2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide is COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccccc2OC)C=C1C.
What is the InChIKey of 2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide?
The InChIKey is NENIHLRILNZXOP-ZJOUEHCJSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-16(2)21-13-18(14-23(27)25-10-11-29-4)17(3)12-19(21)15-26-24(28)20-8-6-7-9-22(20)30-5/h6-9,12,16,18-19,21H,10-11,13-15H2,1-5H3,(H,25,27)(H,26,28)/t18-,19-,21-/m0/s1.
What are the key properties of 2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide?
2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide has a molecular weight of 416.56 g/mol, XLogP of 3.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[(1S,4S,6S)-4-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide is sourced from PubChem (CID 38027702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).