3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride

C18H22ClN3O3 — CID 120611695

IUPAC3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride
SMILESCCC(NC(=O)CCc1ccccc1N)c1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-2-17(14-7-5-8-15(12-14)21(23)24)20-18(22)11-10-13-6-3-4-9-16(13)19;/h3-9,12,17H,2,10-11,19H2,1H3,(H,20,22);1H
InChIKeyBADOWFGTAGGOGQ-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.80
Rot. Bonds7

About 3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride (PubChem CID 120611695) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride
PubChem CID120611695
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride
SMILESCCC(NC(=O)CCc1ccccc1N)c1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-2-17(14-7-5-8-15(12-14)21(23)24)20-18(22)11-10-13-6-3-4-9-16(13)19;/h3-9,12,17H,2,10-11,19H2,1H3,(H,20,22);1H
InChIKeyBADOWFGTAGGOGQ-UHFFFAOYSA-N
XLogP3.80
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

4-amino-N-[1-(3-nitrophenyl)propyl]butanamide
CID 119342113
3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119952385
3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
CID 120613150
3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride
CID 120611087
(2S)-2-amino-N-[1-(3-nitrophenyl)ethyl]butanamide;hydrochloride
CID 119287283
2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43545307
4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide
CID 11392415
3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 54862606
N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43574201
(3R)-3-(3-nitrophenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6925532
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride (CID 120611695) is 3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride is CCC(NC(=O)CCc1ccccc1N)c1cccc([N+](=O)[O-])c1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride?
The InChIKey is BADOWFGTAGGOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.ClH/c1-2-17(14-7-5-8-15(12-14)21(23)24)20-18(22)11-10-13-6-3-4-9-16(13)19;/h3-9,12,17H,2,10-11,19H2,1H3,(H,20,22);1H.
What are the key properties of 3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120611695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).