N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H25NO2 — CID 55594329

IUPACN-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25NO2/c1-3-22(15-16-8-12-20(24-2)13-9-16)21(23)19-11-10-17-6-4-5-7-18(17)14-19/h8-14H,3-7,15H2,1-2H3
InChIKeyWEANGHPKWBDHOV-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.24
Rot. Bonds5

About N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 55594329) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID55594329
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25NO2/c1-3-22(15-16-8-12-20(24-2)13-9-16)21(23)19-11-10-17-6-4-5-7-18(17)14-19/h8-14H,3-7,15H2,1-2H3
InChIKeyWEANGHPKWBDHOV-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 55594217
3-(difluoromethoxy)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 55761516
N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 75422754
N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 63978972
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 55595253
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 46651890
N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide
CID 63395129
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 55795743
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 61109695
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61109885

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 55594329) is N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is WEANGHPKWBDHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-22(15-16-8-12-20(24-2)13-9-16)21(23)19-11-10-17-6-4-5-7-18(17)14-19/h8-14H,3-7,15H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 55594329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).