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

C16H21NO3 — CID 70234693

IUPACN-[(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
SMILESCOc1cc2c(cc1OC)/C(=C\CNC(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)/b12-7-
InChIKeyWMHZTXWULWSMPF-GHXNOFRVSA-N
MW275.35 g/mol
LogP2.56
Rot. Bonds4

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

N-[(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide (PubChem CID 70234693) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide.

Molecular Properties

Compound NameN-[(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
PubChem CID70234693
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
SMILESCOc1cc2c(cc1OC)/C(=C\CNC(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)/b12-7-
InChIKeyWMHZTXWULWSMPF-GHXNOFRVSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide
CID 54438358
2,3,6,7-tetramethoxy-9,10-dihydrophenanthrene
CID 848565
3-[(E)-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]pyridine;hydrochloride
CID 11151281
N-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methylsulfonyl]phenyl]acetamide
CID 7600846
methyl 2-hydroxy-6,7-dimethoxy-9,10-dihydrophenanthrene-3-carboxylate
CID 89464855
(6,7-dimethoxy-3-methoxycarbonyl-9,10-dihydrophenanthren-2-yl)oxythallium
CID 144556859
2-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethanamine
CID 54094556
6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
CID 67783530
methyl 4-[[(2Z)-2-(6,7-dimethoxy-2-methoxysulfonyl-3,4-dihydro-2H-naphthalen-1-ylidene)acetyl]amino]butanoate
CID 5383420
13,14-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one
CID 623410
1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;methanesulfonic acid
CID 71321713
N-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]acetamide
CID 169465296

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide?
The IUPAC name of N-[(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide (CID 70234693) is N-[(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide.
What is the SMILES notation for N-[(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide?
The canonical SMILES for N-[(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide is COc1cc2c(cc1OC)/C(=C\CNC(C)=O)CCC2.
What is the InChIKey of N-[(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide?
The InChIKey is WMHZTXWULWSMPF-GHXNOFRVSA-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)/b12-7-.
What are the key properties of N-[(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide?
N-[(2Z)-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-[(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]acetamide is sourced from PubChem (CID 70234693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).