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

C11H15N3O3 — CID 55146808

IUPAC3-[2-(2-nitrophenyl)ethylamino]propanamide
SMILESNC(=O)CCNCCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c12-11(15)6-8-13-7-5-9-3-1-2-4-10(9)14(16)17/h1-4,13H,5-8H2,(H2,12,15)
InChIKeyJAWPEIQPMXSANV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.60
Rot. Bonds7

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

3-[2-(2-nitrophenyl)ethylamino]propanamide (PubChem CID 55146808) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[2-(2-nitrophenyl)ethylamino]propanamide.

Molecular Properties

Compound Name3-[2-(2-nitrophenyl)ethylamino]propanamide
PubChem CID55146808
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[2-(2-nitrophenyl)ethylamino]propanamide
SMILESNC(=O)CCNCCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c12-11(15)6-8-13-7-5-9-3-1-2-4-10(9)14(16)17/h1-4,13H,5-8H2,(H2,12,15)
InChIKeyJAWPEIQPMXSANV-UHFFFAOYSA-N
XLogP0.60
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.60
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

2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030
N-[2-(2-nitrophenyl)ethyl]pentan-1-amine
CID 55145861
2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide
CID 63062439
N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119093580
(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119334599
1,1-dimethyl-2-[2-(2-nitrophenyl)ethyl]hydrazine
CID 83014156
(Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid
CID 138688125
N-[(2-methylphenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63063478
2-(2-nitrophenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 63063657
2-(2-nitrophenyl)-N-(2-prop-2-enoxyethyl)ethanamine
CID 114264712
(2-nitrophenyl)methyl carbamate
CID 21490181
N-[(2-nitrophenyl)methyl]-2-phenylethanamine
CID 2063752

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-nitrophenyl)ethylamino]propanamide?
The IUPAC name of 3-[2-(2-nitrophenyl)ethylamino]propanamide (CID 55146808) is 3-[2-(2-nitrophenyl)ethylamino]propanamide.
What is the SMILES notation for 3-[2-(2-nitrophenyl)ethylamino]propanamide?
The canonical SMILES for 3-[2-(2-nitrophenyl)ethylamino]propanamide is NC(=O)CCNCCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-[2-(2-nitrophenyl)ethylamino]propanamide?
The InChIKey is JAWPEIQPMXSANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-11(15)6-8-13-7-5-9-3-1-2-4-10(9)14(16)17/h1-4,13H,5-8H2,(H2,12,15).
What are the key properties of 3-[2-(2-nitrophenyl)ethylamino]propanamide?
3-[2-(2-nitrophenyl)ethylamino]propanamide has a molecular weight of 237.26 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-nitrophenyl)ethylamino]propanamide is sourced from PubChem (CID 55146808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).