4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide

C14H18N2O4 — CID 35226421

IUPAC4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O4/c1-9-5-6-11(8-12(9)16(18)19)14(17)15-10(2)13-4-3-7-20-13/h5-6,8,10,13H,3-4,7H2,1-2H3,(H,15,17)/t10-,13-/m1/s1
InChIKeyNQNIWPBNMSQIFK-ZWNOBZJWSA-N
MW278.31 g/mol
LogP2.20
Rot. Bonds4

About 4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide

4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide (PubChem CID 35226421) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
PubChem CID35226421
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O4/c1-9-5-6-11(8-12(9)16(18)19)14(17)15-10(2)13-4-3-7-20-13/h5-6,8,10,13H,3-4,7H2,1-2H3,(H,15,17)/t10-,13-/m1/s1
InChIKeyNQNIWPBNMSQIFK-ZWNOBZJWSA-N
XLogP2.20
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.20
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'}

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Related Compounds

4-bromo-3-nitro-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 51683131
3-(methylamino)-4-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62682287
3-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62680373
4-amino-3-chloro-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62154118
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
2-methyl-5-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65371905
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 81459602
N-(2,6-dimethyl-3-nitrophenyl)-N'-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]oxamide
CID 97334645
2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103297145
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
1-[3-nitro-4-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]amino]phenyl]ethanone
CID 38743490
1-methyl-4-nitro-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390109

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide?
The IUPAC name of 4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide (CID 35226421) is 4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide?
The canonical SMILES for 4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide is Cc1ccc(C(=O)N[C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide?
The InChIKey is NQNIWPBNMSQIFK-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-5-6-11(8-12(9)16(18)19)14(17)15-10(2)13-4-3-7-20-13/h5-6,8,10,13H,3-4,7H2,1-2H3,(H,15,17)/t10-,13-/m1/s1.
What are the key properties of 4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide?
4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide has a molecular weight of 278.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide is sourced from PubChem (CID 35226421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).