3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride

C25H28ClN3O4 — CID 44523532

IUPAC3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride
SMILESCN(C)CCCC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])OC.Cl
InChIInChI=1S/C25H27N3O4.ClH/c1-27(2)16-4-5-20-17-21(10-15-24(20)32-3)25(29)26-22-11-6-18(7-12-22)19-8-13-23(14-9-19)28(30)31;/h6-15,17H,4-5,16H2,1-3H3,(H,26,29);1H
InChIKeyXYWLXUMNVRZKHQ-UHFFFAOYSA-N
MW470.00 g/mol
LogP—
Rot. Bonds8

About 3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride

3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride (PubChem CID 44523532) has the molecular formula C25H28ClN3O4 and a molecular weight of 470.00 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride
PubChem CID44523532
Molecular FormulaC25H28ClN3O4
Molecular Weight470.00 g/mol
Exact Mass469.18
IUPAC Name3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride
SMILESCN(C)CCCC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])OC.Cl
InChIInChI=1S/C25H27N3O4.ClH/c1-27(2)16-4-5-20-17-21(10-15-24(20)32-3)25(29)26-22-11-6-18(7-12-22)19-8-13-23(14-9-19)28(30)31;/h6-15,17H,4-5,16H2,1-3H3,(H,26,29);1H
InChIKeyXYWLXUMNVRZKHQ-UHFFFAOYSA-N
XLogP—
TPSA87.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity592

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;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

Encainide
CID 48041
Encainide Hydrochloride
CID 48040
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-methoxybenzoyl)amino]benzamide
CID 156145621
3-(4-Methoxyphenyl)-n-(4-nitrophenyl)-3-oxopropanamide
CID 289413
N-[2-(4-methoxyphenyl)ethyl]-4-nitrobenzamide
CID 726887
4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 952362
4-methoxy-N-{2-[(2-nitrophenyl)amino]ethyl}benzamide
CID 2957272
4-methoxy-N-{2-[(4-nitrophenyl)amino]ethyl}benzamide
CID 2960624
N-(4-nitrophenyl)-4-(propan-2-yloxy)benzamide
CID 2984381
4-methoxy-3-nitro-N-[4-(phenylamino)phenyl]benzamide
CID 3256817
1,3-Bis(4-methoxyphenyl)-3-[(4-nitrophenyl)amino]propan-1-one
CID 2878280
4-methoxy-N-[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]benzamide
CID 2966271

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride (CID 44523532) is 3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride is CN(C)CCCC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])OC.Cl.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride?
The InChIKey is XYWLXUMNVRZKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4.ClH/c1-27(2)16-4-5-20-17-21(10-15-24(20)32-3)25(29)26-22-11-6-18(7-12-22)19-8-13-23(14-9-19)28(30)31;/h6-15,17H,4-5,16H2,1-3H3,(H,26,29);1H.
What are the key properties of 3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride?
3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride has a molecular weight of 470.00 g/mol, XLogP of not available, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-4-methoxy-N-[4-(4-nitrophenyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 44523532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).