2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C20H23N3O4 — CID 7389968

IUPAC2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C20H23N3O4/c1-22(14-15-6-3-2-4-7-15)19-10-9-16(23(25)26)12-18(19)20(24)21-13-17-8-5-11-27-17/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyXQHMAJVGAMPNKB-QGZVFWFLSA-N
MW369.42 g/mol
LogP3.14
Rot. Bonds7

About 2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide

2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 7389968) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID7389968
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C20H23N3O4/c1-22(14-15-6-3-2-4-7-15)19-10-9-16(23(25)26)12-18(19)20(24)21-13-17-8-5-11-27-17/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyXQHMAJVGAMPNKB-QGZVFWFLSA-N
XLogP3.14
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 966750
2-(4-nitrophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1310311
2-(4-nitrophenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1310310
6-nitro-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 714835
(2S)-2-[methyl-[(4-nitrophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97213864
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(dimethylamino)-5-nitrobenzamide
CID 51154791
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
4-[benzyl(methyl)amino]-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 42670820
2-(4-benzylpiperidin-1-yl)-5-[(2-chloro-4-nitrobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 42757263
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2199589

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 7389968) is 2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide is CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is XQHMAJVGAMPNKB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-22(14-15-6-3-2-4-7-15)19-10-9-16(23(25)26)12-18(19)20(24)21-13-17-8-5-11-27-17/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of 2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 7389968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).