N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

C14H19NO3 — CID 125463800

IUPACN-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESCOc1cc2c(c(OC)c1)CC[C@H](NC(C)=O)C2
InChIInChI=1S/C14H19NO3/c1-9(16)15-11-4-5-13-10(6-11)7-12(17-2)8-14(13)18-3/h7-8,11H,4-6H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyDCHUDCFGAXGOQB-NSHDSACASA-N
MW249.31 g/mol
LogP1.70
Rot. Bonds3

About N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (PubChem CID 125463800) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
PubChem CID125463800
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
SMILESCOc1cc2c(c(OC)c1)CC[C@H](NC(C)=O)C2
InChIInChI=1S/C14H19NO3/c1-9(16)15-11-4-5-13-10(6-11)7-12(17-2)8-14(13)18-3/h7-8,11H,4-6H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyDCHUDCFGAXGOQB-NSHDSACASA-N
XLogP1.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-5,7-dimethoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125486481
(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 129392139
N-[(2R)-8-methoxy-5-nitro-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 129405272
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
N-[(2R)-7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 101229888
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 100968562
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
N-(2-acetyl-4,5,6,7-tetrahydroisoindol-5-yl)acetamide
CID 23463963
N-[(2S,11aR)-8,9-dimethoxy-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-2-yl]acetamide
CID 15170402
N-[(2R,11aS)-8,9-dimethoxy-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-2-yl]acetamide
CID 67923889
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-4-methoxybenzamide
CID 66663510
N-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)acetamide
CID 10355010

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The IUPAC name of N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide (CID 125463800) is N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The canonical SMILES for N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is COc1cc2c(c(OC)c1)CC[C@H](NC(C)=O)C2.
What is the InChIKey of N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
The InChIKey is DCHUDCFGAXGOQB-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(16)15-11-4-5-13-10(6-11)7-12(17-2)8-14(13)18-3/h7-8,11H,4-6H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide?
N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide is sourced from PubChem (CID 125463800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).