2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide

C14H21N3O3 — CID 47163635

IUPAC2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
SMILESCC(C)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C
InChIInChI=1S/C14H21N3O3/c1-10(2)9-16(5)14(18)12-8-11(17(19)20)6-7-13(12)15(3)4/h6-8,10H,9H2,1-5H3
InChIKeyNUZFUBRZYNTOGS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.39
Rot. Bonds5

About 2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide

2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide (PubChem CID 47163635) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
PubChem CID47163635
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
SMILESCC(C)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C
InChIInChI=1S/C14H21N3O3/c1-10(2)9-16(5)14(18)12-8-11(17(19)20)6-7-13(12)15(3)4/h6-8,10H,9H2,1-5H3
InChIKeyNUZFUBRZYNTOGS-UHFFFAOYSA-N
XLogP2.39
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide 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

2-amino-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 62155970
2-(dimethylamino)-N-methyl-5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 18086709
2-(dimethylamino)-5-nitro-N,N-dipropylbenzamide
CID 78798198
2-fluoro-N,3-dimethyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 103297123
2-(dimethylamino)-5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9277234
2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide
CID 42997705
2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
CID 62338594
2-(dimethylamino)-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 110878707
N-(2,2-difluoroethyl)-2-iodo-N-methyl-5-nitrobenzamide
CID 115611523
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(dimethylamino)-N-methyl-5-nitrobenzamide
CID 33163705
2-(dimethylamino)-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 47099164
2-(dimethylamino)-N-(2-methoxyethyl)-5-nitrobenzamide
CID 29198574

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide?
The IUPAC name of 2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide (CID 47163635) is 2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide.
What is the SMILES notation for 2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide?
The canonical SMILES for 2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide is CC(C)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide?
The InChIKey is NUZFUBRZYNTOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)9-16(5)14(18)12-8-11(17(19)20)6-7-13(12)15(3)4/h6-8,10H,9H2,1-5H3.
What are the key properties of 2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide?
2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide has a molecular weight of 279.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-methyl-N-(2-methylpropyl)-5-nitrobenzamide is sourced from PubChem (CID 47163635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).