2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride

C13H20ClN3O4 — CID 119802904

IUPAC2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCCc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C13H19N3O4.ClH/c1-20-9-8-14-10-13(17)15-7-6-11-4-2-3-5-12(11)16(18)19;/h2-5,14H,6-10H2,1H3,(H,15,17);1H
InChIKeyPNLSFMRDMMOWOL-UHFFFAOYSA-N
MW317.77 g/mol
LogP0.91
Rot. Bonds9

About 2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride

2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride (PubChem CID 119802904) has the molecular formula C13H20ClN3O4 and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
PubChem CID119802904
Molecular FormulaC13H20ClN3O4
Molecular Weight317.77 g/mol
Exact Mass317.11
IUPAC Name2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
SMILESCOCCNCC(=O)NCCc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C13H19N3O4.ClH/c1-20-9-8-14-10-13(17)15-7-6-11-4-2-3-5-12(11)16(18)19;/h2-5,14H,6-10H2,1H3,(H,15,17);1H
InChIKeyPNLSFMRDMMOWOL-UHFFFAOYSA-N
XLogP0.91
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide
CID 119802905
2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103109333
2-(2-methoxyethylamino)-N-(2-naphthalen-1-ylethyl)acetamide
CID 119722532
N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119093580
2-[2-(2-nitrophenyl)ethylamino]-N-propan-2-ylacetamide
CID 63062439
N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine
CID 82722032
4-amino-3-methoxy-N-[2-(2-nitrophenyl)ethyl]butanamide
CID 120593305
2-[2-(2-methoxyethoxy)ethoxy]-N-[(2-nitrophenyl)methyl]ethanamine
CID 104562118
(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119334599
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
2-(2-bromo-3-nitrophenyl)-N-(2-methoxyethyl)ethanamine
CID 114048927
2-(2-methoxyethylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119709577

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride (CID 119802904) is 2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride is COCCNCC(=O)NCCc1ccccc1[N+](=O)[O-].Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride?
The InChIKey is PNLSFMRDMMOWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4.ClH/c1-20-9-8-14-10-13(17)15-7-6-11-4-2-3-5-12(11)16(18)19;/h2-5,14H,6-10H2,1H3,(H,15,17);1H.
What are the key properties of 2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride?
2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride has a molecular weight of 317.77 g/mol, XLogP of 0.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119802904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).