N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide

C15H16N2O4 — CID 4807483

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide
SMILESCc1ccc(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C15H16N2O4/c1-11-7-8-13(21-11)10-16(2)15(18)9-12-5-3-4-6-14(12)17(19)20/h3-8H,9-10H2,1-2H3
InChIKeyFBTFMXJJNXAXLB-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.70
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide (PubChem CID 4807483) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide
PubChem CID4807483
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide
SMILESCc1ccc(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C15H16N2O4/c1-11-7-8-13(21-11)10-16(2)15(18)9-12-5-3-4-6-14(12)17(19)20/h3-8H,9-10H2,1-2H3
InChIKeyFBTFMXJJNXAXLB-UHFFFAOYSA-N
XLogP2.70
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.70
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

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(2-nitrophenyl)acetamide
CID 39735708
N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 134058659
1-(5-methylfuran-2-yl)-2-(2-nitrophenyl)ethanone
CID 61055874
2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63590309
N-methyl-2-(6-methyl-1-benzofuran-3-yl)-N-[(2-nitrophenyl)methyl]acetamide
CID 46399107
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 27944743
N-(4-chlorophenyl)-N-[(5-methylfuran-2-yl)methyl]-2-nitrobenzamide
CID 46862856
methyl 4-[methyl-[2-(2-nitrophenyl)acetyl]amino]butanoate
CID 60714518
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
2-[methyl-[2-(2-nitrophenyl)acetyl]amino]propanoic acid
CID 62627251
4-hydroxy-N-methyl-N-[(2-nitrophenyl)methyl]pentanamide
CID 79200307

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide (CID 4807483) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide is Cc1ccc(CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide?
The InChIKey is FBTFMXJJNXAXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-11-7-8-13(21-11)10-16(2)15(18)9-12-5-3-4-6-14(12)17(19)20/h3-8H,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide has a molecular weight of 288.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 4807483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).