N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide

C13H18N2O3 — CID 134058659

IUPACN-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
SMILESCC(C)CN(C)C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3/c1-10(2)9-14(3)13(16)8-11-6-4-5-7-12(11)15(17)18/h4-7,10H,8-9H2,1-3H3
InChIKeyHKARMVUVSXVAOX-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.25
Rot. Bonds5

About N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide

N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide (PubChem CID 134058659) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
PubChem CID134058659
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
SMILESCC(C)CN(C)C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3/c1-10(2)9-14(3)13(16)8-11-6-4-5-7-12(11)15(17)18/h4-7,10H,8-9H2,1-3H3
InChIKeyHKARMVUVSXVAOX-UHFFFAOYSA-N
XLogP2.25
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[methyl-[2-(2-nitrophenyl)acetyl]amino]propanoic acid
CID 62627251
N-(1-aminopropan-2-yl)-N-methyl-2-(2-nitrophenyl)acetamide;hydrochloride
CID 119581257
methyl 4-[methyl-[2-(2-nitrophenyl)acetyl]amino]butanoate
CID 60714518
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide
CID 4807483
N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686813
4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 79200307
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide
CID 39735708
N-methyl-N-[(2-nitrophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 112832707
N-methyl-N-[(2-nitrophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60945755
N-methyl-N-[(2-nitrophenyl)methyl]but-2-enamide
CID 112726699
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
N-methyl-2-(2-methyl-3-nitrophenyl)-N-[2-(2H-tetrazol-5-yl)propyl]acetamide
CID 91649107

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide (CID 134058659) is N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide is CC(C)CN(C)C(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is HKARMVUVSXVAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(2)9-14(3)13(16)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-methylpropyl)-2-(2-nitrophenyl)acetamide?
N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 134058659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).