N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide

C16H21NO3 — CID 54438358

IUPACN-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
SMILESCOc1cc2c(cc1OC)C(=CCNC(C)=O)CCC2
InChIInChI=1S/C16H21NO3/c1-11(18)17-8-7-12-5-4-6-13-9-15(19-2)16(20-3)10-14(12)13/h7,9-10H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyWMHZTXWULWSMPF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.56
Rot. Bonds4

About N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide

N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide (PubChem CID 54438358) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
PubChem CID54438358
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
SMILESCOc1cc2c(cc1OC)C(=CCNC(C)=O)CCC2
InChIInChI=1S/C16H21NO3/c1-11(18)17-8-7-12-5-4-6-13-9-15(19-2)16(20-3)10-14(12)13/h7,9-10H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyWMHZTXWULWSMPF-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide?
The IUPAC name of N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide (CID 54438358) is N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide.
What is the SMILES notation for N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide?
The canonical SMILES for N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide is COc1cc2c(cc1OC)C(=CCNC(C)=O)CCC2.
What is the InChIKey of N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide?
The InChIKey is WMHZTXWULWSMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(18)17-8-7-12-5-4-6-13-9-15(19-2)16(20-3)10-14(12)13/h7,9-10H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide?
N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide is sourced from PubChem (CID 54438358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).