N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide

C17H19N3O3 — CID 71981770

IUPACN,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccccc1NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O3/c1-19(2)17(21)11-13-7-3-5-9-15(13)18-12-14-8-4-6-10-16(14)20(22)23/h3-10,18H,11-12H2,1-2H3
InChIKeyKROPQNZQMKJHAF-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.84
Rot. Bonds6

About N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide

N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide (PubChem CID 71981770) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide
PubChem CID71981770
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccccc1NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H19N3O3/c1-19(2)17(21)11-13-7-3-5-9-15(13)18-12-14-8-4-6-10-16(14)20(22)23/h3-10,18H,11-12H2,1-2H3
InChIKeyKROPQNZQMKJHAF-UHFFFAOYSA-N
XLogP2.84
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
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'}

Analyze N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide 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-ethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28583356
2-[2-[(2-cyanophenyl)methylamino]phenyl]-N,N-dimethylacetamide
CID 47077678
2-(methylsulfonylmethyl)-N-[(2-nitrophenyl)methyl]aniline
CID 154749719
N-[4-methyl-2-[(2-nitrophenyl)methylamino]phenyl]acetamide
CID 71981762
N,N-dimethyl-2-(4-nitronaphthalen-1-yl)acetamide
CID 130276401
2-[methyl-[2-(2-nitrophenyl)acetyl]amino]propanoic acid
CID 62627251
2-bromo-2-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 114328572
(2-nitrophenyl)methylcarbamic acid
CID 18621803
N-[[2-(aminomethyl)phenyl]methyl]-2-nitroaniline
CID 62950463
N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 134058659
2,5-dichloro-4-methyl-N-[(2-nitrophenyl)methyl]aniline
CID 104725978
N-(2-tert-butylphenyl)-2-(2-nitrophenyl)acetamide
CID 35728569

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide (CID 71981770) is N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide is CN(C)C(=O)Cc1ccccc1NCc1ccccc1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide?
The InChIKey is KROPQNZQMKJHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-19(2)17(21)11-13-7-3-5-9-15(13)18-12-14-8-4-6-10-16(14)20(22)23/h3-10,18H,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide?
N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[(2-nitrophenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 71981770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).