N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide

C14H21N3O3 — CID 43739340

IUPACN,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-4-16(5-2)14(18)11(3)15-10-12-8-6-7-9-13(12)17(19)20/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyZHDKLVMQYNXRHF-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.94
Rot. Bonds7

About N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide

N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide (PubChem CID 43739340) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide
PubChem CID43739340
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O3/c1-4-16(5-2)14(18)11(3)15-10-12-8-6-7-9-13(12)17(19)20/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyZHDKLVMQYNXRHF-UHFFFAOYSA-N
XLogP1.94
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide
CID 61068799
2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide
CID 103851440
2-[(2-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61068957
2-[(2-nitrophenyl)methylamino]-N-pentylpropanamide
CID 61068301
N-[(2-nitrophenyl)methyl]pentan-3-amine
CID 28566580
2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-nitrobenzoic acid
CID 103247600
4-methyl-3-[(2-nitrophenyl)methylamino]pentanoic acid
CID 3271868
methyl 3-methyl-2-[(2-nitrophenyl)methylamino]pentanoate
CID 43230991
(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
CID 28564784
2-[(5-bromo-2-nitrophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107680
(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
CID 78979257
(2R)-2-[(2-methyl-3-nitrophenyl)methylamino]propanoic acid
CID 83194932

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide?
The IUPAC name of N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide (CID 43739340) is N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide?
The canonical SMILES for N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide is CCN(CC)C(=O)C(C)NCc1ccccc1[N+](=O)[O-].
What is the InChIKey of N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide?
The InChIKey is ZHDKLVMQYNXRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-16(5-2)14(18)11(3)15-10-12-8-6-7-9-13(12)17(19)20/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide?
N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide is sourced from PubChem (CID 43739340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).