N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C22H26N2O2 — CID 55673060

IUPACN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCN(Cc1ccccc1NC(=O)C1CCCc2ccccc21)C(C)=O
InChIInChI=1S/C22H26N2O2/c1-3-24(16(2)25)15-18-10-5-7-14-21(18)23-22(26)20-13-8-11-17-9-4-6-12-19(17)20/h4-7,9-10,12,14,20H,3,8,11,13,15H2,1-2H3,(H,23,26)
InChIKeyAQMHBRBENHNHEL-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.11
Rot. Bonds5

About N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 55673060) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID55673060
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCN(Cc1ccccc1NC(=O)C1CCCc2ccccc21)C(C)=O
InChIInChI=1S/C22H26N2O2/c1-3-24(16(2)25)15-18-10-5-7-14-21(18)23-22(26)20-13-8-11-17-9-4-6-12-19(17)20/h4-7,9-10,12,14,20H,3,8,11,13,15H2,1-2H3,(H,23,26)
InChIKeyAQMHBRBENHNHEL-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134063134
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43600014
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55715034
N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60794002
(1R)-N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95298708
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886
N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 56581587
1-(2-ethylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652717
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
CID 86981703

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 55673060) is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCN(Cc1ccccc1NC(=O)C1CCCc2ccccc21)C(C)=O.
What is the InChIKey of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is AQMHBRBENHNHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-24(16(2)25)15-18-10-5-7-14-21(18)23-22(26)20-13-8-11-17-9-4-6-12-19(17)20/h4-7,9-10,12,14,20H,3,8,11,13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 55673060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).