N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C21H25NO4 — CID 11727972

IUPACN-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(O)CC(N(Cc1ccccc1)C(C)=O)C2
InChIInChI=1S/C21H25NO4/c1-14(23)22(13-15-7-5-4-6-8-15)17-9-16-10-20(25-2)21(26-3)12-18(16)19(24)11-17/h4-8,10,12,17,19,24H,9,11,13H2,1-3H3
InChIKeyROQLYXKJORHWKQ-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.10
Rot. Bonds5

About N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 11727972) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID11727972
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(O)CC(N(Cc1ccccc1)C(C)=O)C2
InChIInChI=1S/C21H25NO4/c1-14(23)22(13-15-7-5-4-6-8-15)17-9-16-10-20(25-2)21(26-3)12-18(16)19(24)11-17/h4-8,10,12,17,19,24H,9,11,13H2,1-3H3
InChIKeyROQLYXKJORHWKQ-UHFFFAOYSA-N
XLogP3.10
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 110648025
(2R,4R)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15657175
N-benzyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 23563457
methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 23191739
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
N-benzyl-N-(5,6-dimethoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 91277668
(2S,4S)-4-[benzyl(ethoxycarbonyl)amino]-2-ethyl-6,7-dimethoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 70250522
5,6-dimethoxy-2,3-dihydro-1H-indene-1,2-diol
CID 71395890
methyl N-benzyl-N-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 23191735
N-benzyl-2-(3-bromophenyl)-N-[(2S,4R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]acetamide
CID 174445242
methyl (4R,5R)-5-benzyl-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylate
CID 56850624
N-benzyl-N-cyclopropyl-4-methoxy-3-nitrobenzamide
CID 25486643

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 11727972) is N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is COc1cc2c(cc1OC)C(O)CC(N(Cc1ccccc1)C(C)=O)C2.
What is the InChIKey of N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is ROQLYXKJORHWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-14(23)22(13-15-7-5-4-6-8-15)17-9-16-10-20(25-2)21(26-3)12-18(16)19(24)11-17/h4-8,10,12,17,19,24H,9,11,13H2,1-3H3.
What are the key properties of N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 355.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 11727972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).