3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide

C19H29NO4 — CID 673811

IUPAC3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)cc(OC)c1OC
InChIInChI=1S/C19H29NO4/c1-12-7-14(11-19(2,3)10-12)20-18(21)13-8-15(22-4)17(24-6)16(9-13)23-5/h8-9,12,14H,7,10-11H2,1-6H3,(H,20,21)/t12-,14-/m0/s1
InChIKeyDFMOVWZOPBXSMW-JSGCOSHPSA-N
MW335.44 g/mol
LogP3.66
Rot. Bonds5

About 3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide

3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide (PubChem CID 673811) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide
PubChem CID673811
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)cc(OC)c1OC
InChIInChI=1S/C19H29NO4/c1-12-7-14(11-19(2,3)10-12)20-18(21)13-8-15(22-4)17(24-6)16(9-13)23-5/h8-9,12,14H,7,10-11H2,1-6H3,(H,20,21)/t12-,14-/m0/s1
InChIKeyDFMOVWZOPBXSMW-JSGCOSHPSA-N
XLogP3.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
3,4,5-trimethoxy-N-[[1,3,3-trimethyl-5-[(3,4,5-trimethoxybenzoyl)amino]cyclohexyl]methyl]benzamide
CID 4050363
2-methoxy-4-methylsulfanyl-N-(3,3,5-trimethylcyclohexyl)benzamide
CID 43926556
4-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673806
5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 1122328
N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 39358749
3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide
CID 3403393
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673817
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide
CID 1206106
N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 2914105
3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 55782557

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide (CID 673811) is 3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide is COc1cc(C(=O)N[C@H]2C[C@H](C)CC(C)(C)C2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide?
The InChIKey is DFMOVWZOPBXSMW-JSGCOSHPSA-N. The full InChI is InChI=1S/C19H29NO4/c1-12-7-14(11-19(2,3)10-12)20-18(21)13-8-15(22-4)17(24-6)16(9-13)23-5/h8-9,12,14H,7,10-11H2,1-6H3,(H,20,21)/t12-,14-/m0/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide?
3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide has a molecular weight of 335.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzamide is sourced from PubChem (CID 673811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).