N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride

C13H20ClN3O5 — CID 119582603

IUPACN-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride
SMILESCOc1cc(OCC(=O)N(C)C(C)CN)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C13H19N3O5.ClH/c1-9(7-14)15(2)13(17)8-21-10-4-5-11(16(18)19)12(6-10)20-3;/h4-6,9H,7-8,14H2,1-3H3;1H
InChIKeyIIGBJMASUPWCOO-UHFFFAOYSA-N
MW333.77 g/mol
LogP1.21
Rot. Bonds7

About N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride

N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride (PubChem CID 119582603) has the molecular formula C13H20ClN3O5 and a molecular weight of 333.77 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride
PubChem CID119582603
Molecular FormulaC13H20ClN3O5
Molecular Weight333.77 g/mol
Exact Mass333.11
IUPAC NameN-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride
SMILESCOc1cc(OCC(=O)N(C)C(C)CN)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C13H19N3O5.ClH/c1-9(7-14)15(2)13(17)8-21-10-4-5-11(16(18)19)12(6-10)20-3;/h4-6,9H,7-8,14H2,1-3H3;1H
InChIKeyIIGBJMASUPWCOO-UHFFFAOYSA-N
XLogP1.21
TPSA107.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;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

N-[(2S)-1-aminopropan-2-yl]-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 120507649
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
N-benzyl-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide
CID 48845505
2-(3-methoxy-4-nitrophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119442293
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 119225842
2-[[2-(3-methoxy-4-nitrophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 132675738
N-(4-ethoxyphenyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 30156792
N-(3-aminopropyl)-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 119406208
2-[benzyl-[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 132668728
N-(1-aminopropan-2-yl)-3-methoxy-N-methyl-4-nitrobenzenesulfonamide
CID 119982507
5-[2-[methyl(propan-2-yl)amino]-2-oxoethoxy]-2-nitrobenzoic acid
CID 102739673
N-(1-aminopropan-2-yl)-2-(3,5-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119582731

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride (CID 119582603) is N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride is COc1cc(OCC(=O)N(C)C(C)CN)ccc1[N+](=O)[O-].Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride?
The InChIKey is IIGBJMASUPWCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5.ClH/c1-9(7-14)15(2)13(17)8-21-10-4-5-11(16(18)19)12(6-10)20-3;/h4-6,9H,7-8,14H2,1-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride has a molecular weight of 333.77 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(3-methoxy-4-nitrophenoxy)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119582603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).