N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide

C13H18N2O4 — CID 112686813

IUPACN-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(C)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-10(2)19-9-13(16)14(3)8-11-6-4-5-7-12(11)15(17)18/h4-7,10H,8-9H2,1-3H3
InChIKeyWVDSUVSKDWLYTN-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.98
Rot. Bonds6

About N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide

N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide (PubChem CID 112686813) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
PubChem CID112686813
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)N(C)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-10(2)19-9-13(16)14(3)8-11-6-4-5-7-12(11)15(17)18/h4-7,10H,8-9H2,1-3H3
InChIKeyWVDSUVSKDWLYTN-UHFFFAOYSA-N
XLogP1.98
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
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-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 79200307
N-methyl-N-[(2-nitrophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60945755
N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47413238
2-amino-N,3-dimethyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 60945232
N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 112832707
2-[2-[methyl-[(2-nitrophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115586778
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
4-amino-N,2-dimethyl-N-[(2-nitrophenyl)methyl]butanamide
CID 80542921
2-(azetidin-3-yl)-N-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 116676410
N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 134058659
3-amino-2-methoxy-N-methyl-N-[(2-nitrophenyl)methyl]propanamide
CID 106112051
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide (CID 112686813) is N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)N(C)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide?
The InChIKey is WVDSUVSKDWLYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-10(2)19-9-13(16)14(3)8-11-6-4-5-7-12(11)15(17)18/h4-7,10H,8-9H2,1-3H3.
What are the key properties of N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide?
N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide has a molecular weight of 266.30 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 112686813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).