N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide

C18H20N2O4 — CID 8564408

IUPACN-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1ccc(OCC(=O)N(C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O4/c1-13-9-10-17(16(11-13)20(22)23)24-12-18(21)19(3)14(2)15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3/t14-/m0/s1
InChIKeySLKKAJZKPPGAKY-AWEZNQCLSA-N
MW328.37 g/mol
LogP3.50
Rot. Bonds6

About N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide

N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 8564408) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID8564408
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1ccc(OCC(=O)N(C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O4/c1-13-9-10-17(16(11-13)20(22)23)24-12-18(21)19(3)14(2)15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3/t14-/m0/s1
InChIKeySLKKAJZKPPGAKY-AWEZNQCLSA-N
XLogP3.50
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.50
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-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(5-methyl-2-nitrophenoxy)acetamide
CID 51288135
N-(cyanomethyl)-2-(4-methyl-2-nitrophenoxy)-N-phenylacetamide
CID 8564308
2-(5-fluoro-2-nitrophenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24570004
2-(4-methyl-2-nitrophenoxy)acetamide
CID 8538614
1-(2-bromophenyl)-2-(4-methyl-2-nitrophenoxy)ethanone
CID 60657012
N,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide
CID 51188121
N-benzyl-2-(4-methoxy-2-nitrophenoxy)-N-propan-2-ylacetamide
CID 7473394
2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 166187865
[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate
CID 9459149
2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 18076412
2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 758143
2-methyl-3-(4-methyl-2-nitrophenoxy)propan-1-ol
CID 115870896

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide (CID 8564408) is N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide is Cc1ccc(OCC(=O)N(C)[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is SLKKAJZKPPGAKY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13-9-10-17(16(11-13)20(22)23)24-12-18(21)19(3)14(2)15-7-5-4-6-8-15/h4-11,14H,12H2,1-3H3/t14-/m0/s1.
What are the key properties of N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide?
N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 328.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-2-nitrophenoxy)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 8564408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).