N,N-diethyl-3-(4-nitroanilino)propanamide

C13H19N3O3 — CID 60925954

IUPACN,N-diethyl-3-(4-nitroanilino)propanamide
SMILESCCN(CC)C(=O)CCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19N3O3/c1-3-15(4-2)13(17)9-10-14-11-5-7-12(8-6-11)16(18)19/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyGQIGAIMMIGTSHE-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.27
Rot. Bonds7

About N,N-diethyl-3-(4-nitroanilino)propanamide

N,N-diethyl-3-(4-nitroanilino)propanamide (PubChem CID 60925954) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N,N-diethyl-3-(4-nitroanilino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-nitroanilino)propanamide
PubChem CID60925954
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN,N-diethyl-3-(4-nitroanilino)propanamide
SMILESCCN(CC)C(=O)CCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19N3O3/c1-3-15(4-2)13(17)9-10-14-11-5-7-12(8-6-11)16(18)19/h5-8,14H,3-4,9-10H2,1-2H3
InChIKeyGQIGAIMMIGTSHE-UHFFFAOYSA-N
XLogP2.27
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.27
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

N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide
CID 60968024
N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 60926865
N'-ethyl-N'-[2-(4-nitroanilino)ethyl]-N-(4-nitrophenyl)ethane-1,2-diamine
CID 58794849
3-(3,4-diaminoanilino)-N,N-diethylpropanamide
CID 106751126
5-(4-nitroanilino)pentanoic acid
CID 28972234
N,N-diethyl-3-(5-fluoro-2-nitroanilino)propanamide
CID 62376068
6-(4-nitroanilino)hexanoic acid
CID 15992782
N-[3-(4-nitroanilino)propyl]acetamide
CID 2885784
2-[benzyl-[4-(4-nitroanilino)butanoyl]amino]acetic acid
CID 119196853
3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide
CID 109030627
N-(3,3-dimethylbutyl)-4-nitroaniline
CID 60759785
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-nitroanilino)propanamide?
The IUPAC name of N,N-diethyl-3-(4-nitroanilino)propanamide (CID 60925954) is N,N-diethyl-3-(4-nitroanilino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(4-nitroanilino)propanamide?
The canonical SMILES for N,N-diethyl-3-(4-nitroanilino)propanamide is CCN(CC)C(=O)CCNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N,N-diethyl-3-(4-nitroanilino)propanamide?
The InChIKey is GQIGAIMMIGTSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-15(4-2)13(17)9-10-14-11-5-7-12(8-6-11)16(18)19/h5-8,14H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-3-(4-nitroanilino)propanamide?
N,N-diethyl-3-(4-nitroanilino)propanamide has a molecular weight of 265.31 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-nitroanilino)propanamide is sourced from PubChem (CID 60925954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).