N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide

C17H18N2O3 — CID 46564802

IUPACN,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide
SMILESCc1ccc(C(=O)N(C)C(C)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O3/c1-12-9-10-15(11-16(12)19(21)22)17(20)18(3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3
InChIKeyUVGKMNOIWWBXIY-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.74
Rot. Bonds4

About N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide

N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide (PubChem CID 46564802) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound NameN,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide
PubChem CID46564802
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide
SMILESCc1ccc(C(=O)N(C)C(C)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O3/c1-12-9-10-15(11-16(12)19(21)22)17(20)18(3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3
InChIKeyUVGKMNOIWWBXIY-UHFFFAOYSA-N
XLogP3.74
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide 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,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide
CID 51188121
N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-nitrobenzamide
CID 134054215
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethyl-3-nitrobenzamide
CID 46550836
4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide
CID 60939381
4-methyl-3-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 26778619
4-methyl-N,N-bis(3-methylbutyl)-3-nitrobenzamide
CID 60520289
4-bromo-N-methyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]-3-nitrobenzamide
CID 96523716
1-(4-methyl-3-nitrophenyl)-3-phenylpropane-1,3-dione
CID 43138906
4-methyl-3-nitro-N-(2-phenylpropylideneamino)benzamide
CID 4992435
bis(4-methyl-3-nitrophenyl)methanone
CID 2259929
N-methyl-4-(3-methylbutylsulfanyl)-3-nitro-N-propan-2-ylbenzamide
CID 78843877
N-[(2-methoxyphenyl)methyl]-N,4-dimethyl-3-nitrobenzamide
CID 27824435

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide?
The IUPAC name of N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide (CID 46564802) is N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide.
What is the SMILES notation for N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide?
The canonical SMILES for N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide is Cc1ccc(C(=O)N(C)C(C)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide?
The InChIKey is UVGKMNOIWWBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-9-10-15(11-16(12)19(21)22)17(20)18(3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3.
What are the key properties of N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide?
N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide has a molecular weight of 298.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 46564802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).