2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide

C20H19N3O3 — CID 31479768

IUPAC2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)c2ccc3ccccc3c2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H19N3O3/c1-14-7-10-18(19(11-14)23(25)26)21-20(24)13-22(2)17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyPKLFQJBFDMZYTP-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.13
Rot. Bonds5

About 2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide

2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 31479768) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID31479768
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)c2ccc3ccccc3c2)c([N+](=O)[O-])c1
InChIInChI=1S/C20H19N3O3/c1-14-7-10-18(19(11-14)23(25)26)21-20(24)13-22(2)17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyPKLFQJBFDMZYTP-UHFFFAOYSA-N
XLogP4.13
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(naphthalen-2-yl)amino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 31377740
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593263
2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide
CID 8593287
N-(2-nitrophenyl)-2-(N,2,5-trimethylanilino)acetamide
CID 47060051
N-(2-acetylphenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593322
2-(N-ethyl-3,4-difluoroanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 55868218
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
N-(2,5-difluorophenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593308
3-hydroxy-N-(4-methyl-2-nitrophenyl)naphthalene-2-carboxamide
CID 598391
2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 7778820

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide (CID 31479768) is 2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)CN(C)c2ccc3ccccc3c2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is PKLFQJBFDMZYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-7-10-18(19(11-14)23(25)26)21-20(24)13-22(2)17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,13H2,1-2H3,(H,21,24).
What are the key properties of 2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide?
2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-yl)amino]-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 31479768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).