4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide

C17H26N4O4 — CID 25442066

IUPAC4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1
InChIInChI=1S/C17H26N4O4/c1-11-8-20(9-12(2)25-11)17(3,4)10-19-16(22)13-5-6-14(18)15(7-13)21(23)24/h5-7,11-12H,8-10,18H2,1-4H3,(H,19,22)/t11-,12+
InChIKeyNEILDGDXAVLYLL-TXEJJXNPSA-N
MW350.42 g/mol
LogP1.79
Rot. Bonds5

About 4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide

4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide (PubChem CID 25442066) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide
PubChem CID25442066
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1
InChIInChI=1S/C17H26N4O4/c1-11-8-20(9-12(2)25-11)17(3,4)10-19-16(22)13-5-6-14(18)15(7-13)21(23)24/h5-7,11-12H,8-10,18H2,1-4H3,(H,19,22)/t11-,12+
InChIKeyNEILDGDXAVLYLL-TXEJJXNPSA-N
XLogP1.79
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-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

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide
CID 24646123
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-4-methylsulfonylbenzamide
CID 29297040
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide
CID 51532518
4-amino-N-(2-amino-2-ethylbutyl)-3-nitrobenzamide;hydrochloride
CID 119643503
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 42940170
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302140
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 29303331
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 47019999
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(methylsulfamoyl)benzamide
CID 24646229
4-amino-3-nitro-N-(2,3,3-trimethylbutyl)benzamide
CID 78966204
4-amino-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62350667

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide?
The IUPAC name of 4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide (CID 25442066) is 4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide is C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H](C)O1.
What is the InChIKey of 4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide?
The InChIKey is NEILDGDXAVLYLL-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-11-8-20(9-12(2)25-11)17(3,4)10-19-16(22)13-5-6-14(18)15(7-13)21(23)24/h5-7,11-12H,8-10,18H2,1-4H3,(H,19,22)/t11-,12+.
What are the key properties of 4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide?
4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide has a molecular weight of 350.42 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide is sourced from PubChem (CID 25442066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).