N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide

C22H27NO3 — CID 22133276

IUPACN-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide
SMILESCOc1cccc(C2Cc3ccc(OC)cc3C(CCNC(C)=O)C2)c1
InChIInChI=1S/C22H27NO3/c1-15(24)23-10-9-18-12-19(16-5-4-6-20(13-16)25-2)11-17-7-8-21(26-3)14-22(17)18/h4-8,13-14,18-19H,9-12H2,1-3H3,(H,23,24)
InChIKeyPTHAYGOTNLRTGW-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.04
Rot. Bonds6

About N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide

N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide (PubChem CID 22133276) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide
PubChem CID22133276
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide
SMILESCOc1cccc(C2Cc3ccc(OC)cc3C(CCNC(C)=O)C2)c1
InChIInChI=1S/C22H27NO3/c1-15(24)23-10-9-18-12-19(16-5-4-6-20(13-16)25-2)11-17-7-8-21(26-3)14-22(17)18/h4-8,13-14,18-19H,9-12H2,1-3H3,(H,23,24)
InChIKeyPTHAYGOTNLRTGW-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide (CID 22133276) is N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide is COc1cccc(C2Cc3ccc(OC)cc3C(CCNC(C)=O)C2)c1.
What is the InChIKey of N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide?
The InChIKey is PTHAYGOTNLRTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-15(24)23-10-9-18-12-19(16-5-4-6-20(13-16)25-2)11-17-7-8-21(26-3)14-22(17)18/h4-8,13-14,18-19H,9-12H2,1-3H3,(H,23,24).
What are the key properties of N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide?
N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide has a molecular weight of 353.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-methoxy-3-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 22133276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).