N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C20H22N2O2 — CID 134063134

IUPACN-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCCc3ccccc32)c1C
InChIInChI=1S/C20H22N2O2/c1-13-18(21-14(2)23)11-6-12-19(13)22-20(24)17-10-5-8-15-7-3-4-9-16(15)17/h3-4,6-7,9,11-12,17H,5,8,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMCPJWXVDKIMEPO-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.01
Rot. Bonds3

About N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 134063134) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID134063134
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CCCc3ccccc32)c1C
InChIInChI=1S/C20H22N2O2/c1-13-18(21-14(2)23)11-6-12-19(13)22-20(24)17-10-5-8-15-7-3-4-9-16(15)17/h3-4,6-7,9,11-12,17H,5,8,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMCPJWXVDKIMEPO-UHFFFAOYSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60794002
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55673060
(1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51933448
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 56581587
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946722
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 134063134) is N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CCCc3ccccc32)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is MCPJWXVDKIMEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-18(21-14(2)23)11-6-12-19(13)22-20(24)17-10-5-8-15-7-3-4-9-16(15)17/h3-4,6-7,9,11-12,17H,5,8,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 134063134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).