4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide

C19H21N3O4 — CID 97221905

IUPAC4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(N2CCOC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H21N3O4/c1-20-19(23)15-7-8-17(18(12-15)22(24)25)21-9-10-26-13-16(21)11-14-5-3-2-4-6-14/h2-8,12,16H,9-11,13H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyPNMSSSODTACHBI-MRXNPFEDSA-N
MW355.39 g/mol
LogP2.40
Rot. Bonds5

About 4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide

4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide (PubChem CID 97221905) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide
PubChem CID97221905
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(N2CCOC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H21N3O4/c1-20-19(23)15-7-8-17(18(12-15)22(24)25)21-9-10-26-13-16(21)11-14-5-3-2-4-6-14/h2-8,12,16H,9-11,13H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyPNMSSSODTACHBI-MRXNPFEDSA-N
XLogP2.40
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-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

[4-[(3S)-3-(2-hydroxyethyl)morpholin-4-yl]-3-nitrophenyl]-phenylmethanone
CID 97248149
N-methyl-4-[(2S)-2-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzamide
CID 95787435
3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide
CID 82989331
4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide
CID 18139156
4-(4-hydroxypiperidin-1-yl)-N-methyl-3-nitrobenzamide
CID 47370355
(1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol
CID 63370957
4-(benzylamino)-N-methyl-3-nitrobenzamide
CID 78906795
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
4-[4-(cyclopropylamino)piperidin-1-yl]-N-methyl-3-nitrobenzamide
CID 133381220
4-[4-(bromomethyl)-2-nitrophenyl]-3-methylmorpholine
CID 107080268
4-(4-benzylpiperidin-1-yl)-3-nitrobenzoic acid
CID 23826216
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-3-nitrobenzamide
CID 78998954

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide (CID 97221905) is 4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide is CNC(=O)c1ccc(N2CCOC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide?
The InChIKey is PNMSSSODTACHBI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-20-19(23)15-7-8-17(18(12-15)22(24)25)21-9-10-26-13-16(21)11-14-5-3-2-4-6-14/h2-8,12,16H,9-11,13H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of 4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide?
4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide has a molecular weight of 355.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-benzylmorpholin-4-yl]-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 97221905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).