3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride

C18H22ClN3O3 — CID 119952385

IUPAC3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
SMILESCCC(NC(=O)CC(N)c1ccccc1)c1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-2-17(14-9-6-10-15(11-14)21(23)24)20-18(22)12-16(19)13-7-4-3-5-8-13;/h3-11,16-17H,2,12,19H2,1H3,(H,20,22);1H
InChIKeyTVQJUJMUEAHYCA-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.67
Rot. Bonds7

About 3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119952385) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
PubChem CID119952385
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
SMILESCCC(NC(=O)CC(N)c1ccccc1)c1cccc([N+](=O)[O-])c1.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-2-17(14-9-6-10-15(11-14)21(23)24)20-18(22)12-16(19)13-7-4-3-5-8-13;/h3-11,16-17H,2,12,19H2,1H3,(H,20,22);1H
InChIKeyTVQJUJMUEAHYCA-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 52
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'}

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Related Compounds

3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
4-amino-N-[1-(3-nitrophenyl)propyl]butanamide
CID 119342113
3-(2-aminophenyl)-N-[1-(3-nitrophenyl)propyl]propanamide;hydrochloride
CID 120611695
(3R)-3-(3-nitrophenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6925532
2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43545307
4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide
CID 11392415
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
3-amino-3-(3-nitrophenyl)propanamide
CID 18949390
(3R)-3-[[2-(4-methoxyphenyl)acetyl]amino]-3-(3-nitrophenyl)propanoic acid
CID 1271486
(2S)-2-amino-N-[1-(3-nitrophenyl)ethyl]butanamide;hydrochloride
CID 119287283
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
N-[1-(3-nitrophenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940344

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride (CID 119952385) is 3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride is CCC(NC(=O)CC(N)c1ccccc1)c1cccc([N+](=O)[O-])c1.Cl.
What is the InChIKey of 3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is TVQJUJMUEAHYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.ClH/c1-2-17(14-9-6-10-15(11-14)21(23)24)20-18(22)12-16(19)13-7-4-3-5-8-13;/h3-11,16-17H,2,12,19H2,1H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119952385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).