3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide

C22H22N2O2 — CID 141145917

IUPAC3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide
SMILESCc1cc(C)c(CC(=O)Nc2cc3ccccc3cc2C(N)=O)c(C)c1
InChIInChI=1S/C22H22N2O2/c1-13-8-14(2)18(15(3)9-13)12-21(25)24-20-11-17-7-5-4-6-16(17)10-19(20)22(23)26/h4-11H,12H2,1-3H3,(H2,23,26)(H,24,25)
InChIKeyNYKPMGZUALUZGI-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.05
Rot. Bonds4

About 3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide

3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide (PubChem CID 141145917) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide
PubChem CID141145917
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide
SMILESCc1cc(C)c(CC(=O)Nc2cc3ccccc3cc2C(N)=O)c(C)c1
InChIInChI=1S/C22H22N2O2/c1-13-8-14(2)18(15(3)9-13)12-21(25)24-20-11-17-7-5-4-6-16(17)10-19(20)22(23)26/h4-11H,12H2,1-3H3,(H2,23,26)(H,24,25)
InChIKeyNYKPMGZUALUZGI-UHFFFAOYSA-N
XLogP4.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carbonyl]amino]butanoic acid
CID 11519023
N-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 42390776
3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carboxamide
CID 141145857
N-propan-2-yl-2-(2,4,6-trimethylphenyl)acetamide
CID 110767844
N-(2-carbamoylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512277
N-hydroxy-2-(2,4,6-trimethylphenyl)acetamide
CID 139860051
3-[(2-acetamidoacetyl)amino]naphthalene-2-carboxylic acid
CID 24702381
CID 70080980
CID 70080980
methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818
N-(5-bromo-2-carbamothioylphenyl)-2-(2-methylphenyl)acetamide
CID 107798725
2-(2,4-dimethylphenyl)-N-(2-methylphenyl)acetamide
CID 100747569
2-[7-(2-aminoanilino)-7-oxoheptyl]-4-methylbenzamide
CID 156690682

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide?
The IUPAC name of 3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide (CID 141145917) is 3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide?
The canonical SMILES for 3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide is Cc1cc(C)c(CC(=O)Nc2cc3ccccc3cc2C(N)=O)c(C)c1.
What is the InChIKey of 3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide?
The InChIKey is NYKPMGZUALUZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-13-8-14(2)18(15(3)9-13)12-21(25)24-20-11-17-7-5-4-6-16(17)10-19(20)22(23)26/h4-11H,12H2,1-3H3,(H2,23,26)(H,24,25).
What are the key properties of 3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide?
3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]naphthalene-2-carboxamide is sourced from PubChem (CID 141145917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).