N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide

C12H17N3O3 — CID 82354411

IUPACN-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide
SMILESCCN(CCN)C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-2-14(8-7-13)12(16)9-10-5-3-4-6-11(10)15(17)18/h3-6H,2,7-9,13H2,1H3
InChIKeySCDMDLMFHVORIT-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.94
Rot. Bonds6

About N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide

N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide (PubChem CID 82354411) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide
PubChem CID82354411
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide
SMILESCCN(CCN)C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O3/c1-2-14(8-7-13)12(16)9-10-5-3-4-6-11(10)15(17)18/h3-6H,2,7-9,13H2,1H3
InChIKeySCDMDLMFHVORIT-UHFFFAOYSA-N
XLogP0.94
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.94
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'}

Analyze N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide 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

3-[ethyl-[2-(2-nitrophenyl)acetyl]amino]propanoic acid
CID 61007834
2-[[2-(2-nitrophenyl)acetyl]-propylamino]acetic acid
CID 61012209
N-(2-aminoethyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 61350278
N-(3-aminopropyl)-N-benzyl-2-(2-nitrophenyl)acetamide;hydrochloride
CID 120649021
N-(1-aminopropan-2-yl)-N-methyl-2-(2-nitrophenyl)acetamide;hydrochloride
CID 119581257
N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine
CID 62682395
N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 134058659
ethyl 3-[methyl-[(2-nitrophenyl)methyl]amino]propanoate
CID 61372410
2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
CID 81317798
2-[ethyl-[2-(2-nitrophenyl)ethyl]amino]acetic acid
CID 63061790
2-[methyl-[2-(2-nitrophenyl)acetyl]amino]propanoic acid
CID 62627251
N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide
CID 43739340

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide (CID 82354411) is N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide is CCN(CCN)C(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide?
The InChIKey is SCDMDLMFHVORIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-14(8-7-13)12(16)9-10-5-3-4-6-11(10)15(17)18/h3-6H,2,7-9,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide?
N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide has a molecular weight of 251.29 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 82354411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).