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

C17H18N2O3 — CID 51188121

IUPACN,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O3/c1-12-11-15(9-10-16(12)19(21)22)17(20)18(3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3
InChIKeyLPYRSZFFULTMCJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.74
Rot. Bonds4

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

N,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide (PubChem CID 51188121) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound NameN,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide
PubChem CID51188121
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H18N2O3/c1-12-11-15(9-10-16(12)19(21)22)17(20)18(3)13(2)14-7-5-4-6-8-14/h4-11,13H,1-3H3
InChIKeyLPYRSZFFULTMCJ-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'}

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Related Compounds

N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide
CID 46564802
N,3-dimethyl-N-[1-(4-methylphenyl)ethyl]-4-nitrobenzamide
CID 134054215
4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide
CID 60939381
N-benzyl-N,3-dimethyl-4-nitrobenzamide
CID 786991
3-methyl-4-nitro-N-phenylbenzohydrazide
CID 54532028
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethyl-3-nitrobenzamide
CID 46550836
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
2-[butan-2-yl-(3-methyl-4-nitrobenzoyl)amino]acetic acid
CID 60829723
N-(2-hydroxyethyl)-3-methyl-4-nitro-N-propan-2-ylbenzamide
CID 43573129
1-methyl-3-(3-methyl-4-nitrophenyl)-1-[1-(4-methylphenyl)ethyl]urea
CID 112840146
N-[1-(3-benzamidophenyl)ethyl]-N-methyl-3-nitrobenzamide
CID 46533511
N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 8564408

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide?
The IUPAC name of N,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide (CID 51188121) is N,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide.
What is the SMILES notation for N,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide?
The canonical SMILES for N,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide is Cc1cc(C(=O)N(C)C(C)c2ccccc2)ccc1[N+](=O)[O-].
What is the InChIKey of N,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide?
The InChIKey is LPYRSZFFULTMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-11-15(9-10-16(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,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide?
N,3-dimethyl-4-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,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 51188121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).