N-ethoxy-3-(2-nitroanilino)propanamide

C11H15N3O4 — CID 51337314

IUPACN-ethoxy-3-(2-nitroanilino)propanamide
SMILESCCONC(=O)CCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-2-18-13-11(15)7-8-12-9-5-3-4-6-10(9)14(16)17/h3-6,12H,2,7-8H2,1H3,(H,13,15)
InChIKeyVNFITILEVYEHDS-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.46
Rot. Bonds7

About N-ethoxy-3-(2-nitroanilino)propanamide

N-ethoxy-3-(2-nitroanilino)propanamide (PubChem CID 51337314) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-ethoxy-3-(2-nitroanilino)propanamide.

Molecular Properties

Compound NameN-ethoxy-3-(2-nitroanilino)propanamide
PubChem CID51337314
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-ethoxy-3-(2-nitroanilino)propanamide
SMILESCCONC(=O)CCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-2-18-13-11(15)7-8-12-9-5-3-4-6-10(9)14(16)17/h3-6,12H,2,7-8H2,1H3,(H,13,15)
InChIKeyVNFITILEVYEHDS-UHFFFAOYSA-N
XLogP1.46
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-ethoxy-3-(2-nitrophenyl)urea
CID 5118633
N-(3,5-dimethoxyphenyl)-3-(2-nitroanilino)propanamide
CID 16962807
N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide
CID 119586024
3-methyl-2-[3-(2-nitroanilino)propanoylamino]butanoic acid
CID 119169891
ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-(2-nitroanilino)ethyl]amino]acetate
CID 101334137
N-[(4-methylphenyl)methyl]-3-(2-nitroanilino)propanamide
CID 16797640
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide
CID 119572924
3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
CID 119272735
2-methyl-N-[2-(2-nitroanilino)ethyl]butanamide
CID 46519537
3-(2-nitroanilino)-N-(3-phenoxypropyl)propanamide
CID 51328724
methyl N-[2-(2-nitroanilino)ethyl]carbamate
CID 23551562
2-methylidene-4-(2-nitroanilino)butanoic acid
CID 23139707

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-(2-nitroanilino)propanamide?
The IUPAC name of N-ethoxy-3-(2-nitroanilino)propanamide (CID 51337314) is N-ethoxy-3-(2-nitroanilino)propanamide.
What is the SMILES notation for N-ethoxy-3-(2-nitroanilino)propanamide?
The canonical SMILES for N-ethoxy-3-(2-nitroanilino)propanamide is CCONC(=O)CCNc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-ethoxy-3-(2-nitroanilino)propanamide?
The InChIKey is VNFITILEVYEHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-18-13-11(15)7-8-12-9-5-3-4-6-10(9)14(16)17/h3-6,12H,2,7-8H2,1H3,(H,13,15).
What are the key properties of N-ethoxy-3-(2-nitroanilino)propanamide?
N-ethoxy-3-(2-nitroanilino)propanamide has a molecular weight of 253.26 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-(2-nitroanilino)propanamide is sourced from PubChem (CID 51337314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).