N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide

C13H19N3O3 — CID 106592192

IUPACN-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide
SMILESCCNCCNC(=O)C(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-3-14-7-8-15-13(17)10(2)11-5-4-6-12(9-11)16(18)19/h4-6,9-10,14H,3,7-8H2,1-2H3,(H,15,17)
InChIKeyRRTWKJKEFZBKGL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.42
Rot. Bonds7

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

N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide (PubChem CID 106592192) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide
PubChem CID106592192
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide
SMILESCCNCCNC(=O)C(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-3-14-7-8-15-13(17)10(2)11-5-4-6-12(9-11)16(18)19/h4-6,9-10,14H,3,7-8H2,1-2H3,(H,15,17)
InChIKeyRRTWKJKEFZBKGL-UHFFFAOYSA-N
XLogP1.42
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
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-[(2S)-2-hydroxypropyl]-2-(3-nitrophenyl)propanamide
CID 106592096
2-[2-(3-nitrophenyl)propanoylamino]acetic acid
CID 106591944
2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 106592140
2-[1-(3-nitrophenyl)ethylamino]ethylurea
CID 83110972
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119507081
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide
CID 106592029
2-(ethylamino)-1-(3-nitrophenyl)ethanol
CID 44719347
N-(1-hydroxy-2-methylbutan-2-yl)-2-(3-nitrophenyl)propanamide
CID 106592058
N-[(3-bromothiophen-2-yl)methyl]-2-(3-nitrophenyl)propanamide
CID 106592019
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide
CID 106704157
N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43574201
N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide (CID 106592192) is N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide is CCNCCNC(=O)C(C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide?
The InChIKey is RRTWKJKEFZBKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-14-7-8-15-13(17)10(2)11-5-4-6-12(9-11)16(18)19/h4-6,9-10,14H,3,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide?
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide has a molecular weight of 265.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide is sourced from PubChem (CID 106592192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).