N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide

C14H21N3O3 — CID 60926865

IUPACN,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H21N3O3/c1-3-16(4-2)14(18)9-10-15-11-12-5-7-13(8-6-12)17(19)20/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyIGRUYKPJDBGIGE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.94
Rot. Bonds8

About N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide

N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide (PubChem CID 60926865) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide
PubChem CID60926865
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)CCNCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H21N3O3/c1-3-16(4-2)14(18)9-10-15-11-12-5-7-13(8-6-12)17(19)20/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyIGRUYKPJDBGIGE-UHFFFAOYSA-N
XLogP1.94
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
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

N,N-diethyl-3-(4-nitroanilino)propanamide
CID 60925954
N,N-diethyl-3-[[4-(trifluoromethyl)phenyl]methylamino]propanamide
CID 60925934
3-[(3,4-dimethylphenyl)methylamino]-N,N-diethylpropanamide
CID 54935720
N-tert-butyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 115605393
4-[(4-nitrophenyl)methylamino]butanamide
CID 60865200
N',N'-dimethyl-N-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 4721334
N-ethyl-N-[3-[(4-nitrophenyl)methylamino]propyl]methanesulfonamide
CID 61014886
N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 62316575
3-[(4-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 28654790
N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 57030248
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589
4,4-dimethyl-6-[(4-nitrophenyl)methylamino]hexanoic acid
CID 65287617

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide (CID 60926865) is N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide is CCN(CC)C(=O)CCNCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide?
The InChIKey is IGRUYKPJDBGIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-16(4-2)14(18)9-10-15-11-12-5-7-13(8-6-12)17(19)20/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide?
N,N-diethyl-3-[(4-nitrophenyl)methylamino]propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.94, 8 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-nitrophenyl)methylamino]propanamide is sourced from PubChem (CID 60926865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).