N-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C27H35NO6 — CID 55437900

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC(C)C2C)cc(OC)c1OC
InChIInChI=1S/C27H35NO6/c1-17-7-6-8-21(18(17)2)28(15-19-9-10-22-23(11-19)34-16-33-22)26(29)14-20-12-24(30-3)27(32-5)25(13-20)31-4/h9-13,17-18,21H,6-8,14-16H2,1-5H3
InChIKeyXZIOHKQVOFAXPH-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.84
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 55437900) has the molecular formula C27H35NO6 and a molecular weight of 469.58 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID55437900
Molecular FormulaC27H35NO6
Molecular Weight469.58 g/mol
Exact Mass469.25
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC(C)C2C)cc(OC)c1OC
InChIInChI=1S/C27H35NO6/c1-17-7-6-8-21(18(17)2)28(15-19-9-10-22-23(11-19)34-16-33-22)26(29)14-20-12-24(30-3)27(32-5)25(13-20)31-4/h9-13,17-18,21H,6-8,14-16H2,1-5H3
InChIKeyXZIOHKQVOFAXPH-UHFFFAOYSA-N
XLogP4.84
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 124853194
1-(1,3-benzodioxol-5-ylmethyl)-1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(2,2,2-trifluoroethyl)urea
CID 95762529
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-(3,4-dimethoxyphenyl)propanamide
CID 39738565
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 55733513
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 124736449
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 98786905
N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 51165959
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119318289
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
1-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-1-[(1R,2S,3R)-2,3-dimethylcyclohexyl]urea
CID 98772132
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 42724635
2-cyano-N-[(3,4-dimethoxyphenyl)methyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 99786474

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 55437900) is N-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC(C)C2C)cc(OC)c1OC.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is XZIOHKQVOFAXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO6/c1-17-7-6-8-21(18(17)2)28(15-19-9-10-22-23(11-19)34-16-33-22)26(29)14-20-12-24(30-3)27(32-5)25(13-20)31-4/h9-13,17-18,21H,6-8,14-16H2,1-5H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 469.58 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 55437900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).