N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide

C15H23N3O4 — CID 71258719

IUPACN-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide
SMILESCCOCCCNc1ccc(N(C)C(=O)CC)cc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O4/c1-4-15(19)17(3)12-7-8-13(14(11-12)18(20)21)16-9-6-10-22-5-2/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyRRMJISHUOFMGSX-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.81
Rot. Bonds9

About N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide

N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide (PubChem CID 71258719) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide
PubChem CID71258719
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide
SMILESCCOCCCNc1ccc(N(C)C(=O)CC)cc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O4/c1-4-15(19)17(3)12-7-8-13(14(11-12)18(20)21)16-9-6-10-22-5-2/h7-8,11,16H,4-6,9-10H2,1-3H3
InChIKeyRRMJISHUOFMGSX-UHFFFAOYSA-N
XLogP2.81
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-ethoxypropylamino)-3-nitrobenzamide
CID 43386231
N-(3-ethoxypropyl)-4-methoxy-2-nitroaniline
CID 29300264
3-(3-ethoxypropylamino)-N,N-dimethyl-4-nitrobenzamide
CID 82990387
4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82991065
4-(3-methoxypropylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82992510
N-(2-ethoxyethyl)-3-nitro-4-(propylamino)benzamide
CID 62186883
N-(3-butoxypropyl)-4-methoxy-2-nitroaniline
CID 115569626
4-(2-ethoxyethoxymethyl)-2-nitro-N-propylaniline
CID 62195676
N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dinitroaniline
CID 162495808
bis[3-[4-(dimethylamino)-2-nitroanilino]propyl]-ethyl-methylazanium
CID 154351968
4-[3-(2-hydroxyethoxy)propylamino]-N-methyl-3-nitrobenzamide
CID 103990481
4-N,4-N-diethyl-1-N-(2-methoxyethyl)-2-nitrobenzene-1,4-diamine
CID 90811507

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide?
The IUPAC name of N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide (CID 71258719) is N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide is CCOCCCNc1ccc(N(C)C(=O)CC)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide?
The InChIKey is RRMJISHUOFMGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-4-15(19)17(3)12-7-8-13(14(11-12)18(20)21)16-9-6-10-22-5-2/h7-8,11,16H,4-6,9-10H2,1-3H3.
What are the key properties of N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide?
N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide has a molecular weight of 309.37 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethoxypropylamino)-3-nitrophenyl]-N-methylpropanamide is sourced from PubChem (CID 71258719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).