2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide

C17H19N3O3 — CID 9308940

IUPAC2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide
SMILESCc1ccccc1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N3O3/c1-13-4-2-3-5-14(13)12-17(21)19-11-10-18-15-6-8-16(9-7-15)20(22)23/h2-9,18H,10-12H2,1H3,(H,19,21)
InChIKeyYBPYWDMGVBFUOY-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.67
Rot. Bonds7

About 2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide

2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide (PubChem CID 9308940) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide
PubChem CID9308940
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide
SMILESCc1ccccc1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H19N3O3/c1-13-4-2-3-5-14(13)12-17(21)19-11-10-18-15-6-8-16(9-7-15)20(22)23/h2-9,18H,10-12H2,1H3,(H,19,21)
InChIKeyYBPYWDMGVBFUOY-UHFFFAOYSA-N
XLogP2.67
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylphenoxy)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9308609
2-naphthalen-2-yl-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9308928
(2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide
CID 119272520
3,5-dimethyl-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308454
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9309082
2-benzo[e][1]benzofuran-1-yl-N-[2-(4-nitroanilino)ethyl]acetamide
CID 46415646
2-methylsulfanyl-N-[2-(4-nitroanilino)ethyl]benzamide
CID 26446065
1-[(2-fluorophenyl)methyl]-2-methyl-3-[2-(4-nitroanilino)ethyl]guanidine
CID 111266983
4-ethyl-5-methyl-N-[2-(4-nitroanilino)ethyl]thiophene-2-carboxamide
CID 9308941
2-[(4-methylphenyl)methylsulfanyl]-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9308837
2-ethoxy-N-[2-(4-nitroanilino)ethyl]benzamide
CID 41262664
4-(4-nitroanilino)-N-[2-(2-nitroanilino)ethyl]butanamide
CID 31738306

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide (CID 9308940) is 2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide is Cc1ccccc1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide?
The InChIKey is YBPYWDMGVBFUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-13-4-2-3-5-14(13)12-17(21)19-11-10-18-15-6-8-16(9-7-15)20(22)23/h2-9,18H,10-12H2,1H3,(H,19,21).
What are the key properties of 2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide?
2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-(4-nitroanilino)ethyl]acetamide is sourced from PubChem (CID 9308940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).