3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

C21H25NO5 — CID 1163292

IUPAC3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(OC)c(OC)c(OC)c1)CCCC2
InChIInChI=1S/C21H25NO5/c1-24-17-10-14-8-6-5-7-13(14)9-16(17)22-21(23)15-11-18(25-2)20(27-4)19(12-15)26-3/h9-12H,5-8H2,1-4H3,(H,22,23)
InChIKeyKAEPKDXPPVYFCR-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.85
Rot. Bonds6

About 3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 1163292) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
PubChem CID1163292
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1cc(OC)c(OC)c(OC)c1)CCCC2
InChIInChI=1S/C21H25NO5/c1-24-17-10-14-8-6-5-7-13(14)9-16(17)22-21(23)15-11-18(25-2)20(27-4)19(12-15)26-3/h9-12H,5-8H2,1-4H3,(H,22,23)
InChIKeyKAEPKDXPPVYFCR-UHFFFAOYSA-N
XLogP3.85
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1122084
3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1311513
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)adamantane-1-carboxamide
CID 140896369
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
3,4,5-trimethoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 99952849
5-tert-butyl-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)thiophene-2-carboxamide
CID 140896358
N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 23856712
4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 164614809
3,4,5-trimethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687225
N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9369331
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (CID 1163292) is 3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is COc1cc2c(cc1NC(=O)c1cc(OC)c(OC)c(OC)c1)CCCC2.
What is the InChIKey of 3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is KAEPKDXPPVYFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-24-17-10-14-8-6-5-7-13(14)9-16(17)22-21(23)15-11-18(25-2)20(27-4)19(12-15)26-3/h9-12H,5-8H2,1-4H3,(H,22,23).
What are the key properties of 3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 371.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 1163292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).