2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide

C18H21N3O5 — CID 9278952

IUPAC2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCNc2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C18H21N3O5/c1-25-14-8-7-13(17(12-14)26-2)11-18(22)20-10-9-19-15-5-3-4-6-16(15)21(23)24/h3-8,12,19H,9-11H2,1-2H3,(H,20,22)
InChIKeyVTEYBVQDMSJKAG-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.38
Rot. Bonds9

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

2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide (PubChem CID 9278952) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide
PubChem CID9278952
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCNc2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C18H21N3O5/c1-25-14-8-7-13(17(12-14)26-2)11-18(22)20-10-9-19-15-5-3-4-6-16(15)21(23)24/h3-8,12,19H,9-11H2,1-2H3,(H,20,22)
InChIKeyVTEYBVQDMSJKAG-UHFFFAOYSA-N
XLogP2.38
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278181
2-(2,4-dimethoxyphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]acetamide
CID 41284052
3-methoxy-N-[2-[2-(2-nitroanilino)ethylamino]-2-oxoethyl]benzamide
CID 9278422
3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278183
2,4,5-trimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278201
3,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278136
3-(3,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]propanamide
CID 9278604
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(2-nitroanilino)propanamide
CID 134053807
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-nitroanilino)ethyl]propanamide
CID 9278840
2,4-dimethoxy-N-(2-nitrophenyl)benzamide
CID 5149681

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide (CID 9278952) is 2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide is COc1ccc(CC(=O)NCCNc2ccccc2[N+](=O)[O-])c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide?
The InChIKey is VTEYBVQDMSJKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-25-14-8-7-13(17(12-14)26-2)11-18(22)20-10-9-19-15-5-3-4-6-16(15)21(23)24/h3-8,12,19H,9-11H2,1-2H3,(H,20,22).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide has a molecular weight of 359.38 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[2-(2-nitroanilino)ethyl]acetamide is sourced from PubChem (CID 9278952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).