N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide

C14H21N3O3 — CID 43574201

IUPACN-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide
SMILESCCNC(=O)C(C)NC(CC)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3/c1-4-13(16-10(3)14(18)15-5-2)11-7-6-8-12(9-11)17(19)20/h6-10,13,16H,4-5H2,1-3H3,(H,15,18)
InChIKeyNPZXMVANNWGKSE-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.16
Rot. Bonds7

About N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide

N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide (PubChem CID 43574201) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide
PubChem CID43574201
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide
SMILESCCNC(=O)C(C)NC(CC)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H21N3O3/c1-4-13(16-10(3)14(18)15-5-2)11-7-6-8-12(9-11)17(19)20/h6-10,13,16H,4-5H2,1-3H3,(H,15,18)
InChIKeyNPZXMVANNWGKSE-UHFFFAOYSA-N
XLogP2.16
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
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

2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43545307
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
4-methyl-2-[1-(3-nitrophenyl)propylamino]pentan-1-ol
CID 61247431
N-[1-(3-nitrophenyl)propyl]pent-4-en-2-amine
CID 115890489
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide
CID 106592192
2-[2-(3-nitrophenyl)propanoylamino]acetic acid
CID 106591944
1-(3-nitrophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62841318
N-(2-methylpropoxy)-1-(3-nitrophenyl)propan-1-amine
CID 82709613
4-methyl-1-[1-(3-nitrophenyl)propylamino]pentan-2-ol
CID 103779754
4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide
CID 11392415
4-ethylsulfanyl-N-[1-(3-nitrophenyl)propyl]butan-2-amine
CID 115725515
5-[1-(3-nitrophenyl)propylamino]pentan-2-ol
CID 107270181

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide?
The IUPAC name of N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide (CID 43574201) is N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide?
The canonical SMILES for N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide is CCNC(=O)C(C)NC(CC)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide?
The InChIKey is NPZXMVANNWGKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-13(16-10(3)14(18)15-5-2)11-7-6-8-12(9-11)17(19)20/h6-10,13,16H,4-5H2,1-3H3,(H,15,18).
What are the key properties of N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide?
N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide has a molecular weight of 279.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide is sourced from PubChem (CID 43574201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).