2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide

C12H16N2O5 — CID 30481637

IUPAC2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide
SMILESCOC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C12H16N2O5/c1-8(7-18-2)13-12(15)10-6-9(14(16)17)4-5-11(10)19-3/h4-6,8H,7H2,1-3H3,(H,13,15)/t8-/m1/s1
InChIKeyRMNKGNZVNJRHQO-MRVPVSSYSA-N
MW268.27 g/mol
LogP1.37
Rot. Bonds6

About 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide

2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide (PubChem CID 30481637) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide
PubChem CID30481637
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide
SMILESCOC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C12H16N2O5/c1-8(7-18-2)13-12(15)10-6-9(14(16)17)4-5-11(10)19-3/h4-6,8H,7H2,1-3H3,(H,13,15)/t8-/m1/s1
InChIKeyRMNKGNZVNJRHQO-MRVPVSSYSA-N
XLogP1.37
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.37
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'}

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Related Compounds

2-amino-N-(4-methoxybutan-2-yl)-5-nitrobenzamide
CID 64605955
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
(2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
CID 80751071
4-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]butanoic acid
CID 61242378
2-methoxy-5-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716205
2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzamide
CID 87021268
1-[(2-chloro-5-nitrobenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9478236
2-methoxy-5-nitro-N-prop-2-ynylbenzamide
CID 18110111
(2S)-2-[[2-[(2-methoxy-5-nitrobenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695276
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
CID 113238601
propan-2-yl 2-methoxy-5-nitrobenzoate
CID 112722997

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide?
The IUPAC name of 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide (CID 30481637) is 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide.
What is the SMILES notation for 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide?
The canonical SMILES for 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide is COC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide?
The InChIKey is RMNKGNZVNJRHQO-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-8(7-18-2)13-12(15)10-6-9(14(16)17)4-5-11(10)19-3/h4-6,8H,7H2,1-3H3,(H,13,15)/t8-/m1/s1.
What are the key properties of 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide?
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide has a molecular weight of 268.27 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide is sourced from PubChem (CID 30481637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).