N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide

C19H18N2O4 — CID 46399107

IUPACN-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide
SMILESCc1ccc2c(CC(=O)N(C)Cc3ccccc3[N+](=O)[O-])coc2c1
InChIInChI=1S/C19H18N2O4/c1-13-7-8-16-15(12-25-18(16)9-13)10-19(22)20(2)11-14-5-3-4-6-17(14)21(23)24/h3-9,12H,10-11H2,1-2H3
InChIKeyKSGVQEDBLCGCEY-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.85
Rot. Bonds5

About N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide

N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide (PubChem CID 46399107) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide
PubChem CID46399107
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide
SMILESCc1ccc2c(CC(=O)N(C)Cc3ccccc3[N+](=O)[O-])coc2c1
InChIInChI=1S/C19H18N2O4/c1-13-7-8-16-15(12-25-18(16)9-13)10-19(22)20(2)11-14-5-3-4-6-17(14)21(23)24/h3-9,12H,10-11H2,1-2H3
InChIKeyKSGVQEDBLCGCEY-UHFFFAOYSA-N
XLogP3.85
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.85
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-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid
CID 43092357
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525269
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide
CID 4807483
(3-nitrophenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 4816211
7-methyl-3-(2-nitrophenyl)chromen-4-one
CID 11289009
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 79200307
2-[2-[methyl-[(2-nitrophenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 115586778
N-methyl-N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686813
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide
CID 39735708
N-methyl-N-[(2-nitrophenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46412913

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide (CID 46399107) is N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide is Cc1ccc2c(CC(=O)N(C)Cc3ccccc3[N+](=O)[O-])coc2c1.
What is the InChIKey of N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide?
The InChIKey is KSGVQEDBLCGCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13-7-8-16-15(12-25-18(16)9-13)10-19(22)20(2)11-14-5-3-4-6-17(14)21(23)24/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide?
N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide has a molecular weight of 338.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 46399107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).