N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide

C18H21N3O4 — CID 27203177

IUPACN-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCc1c(NC(=O)CN(C)CCOc2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O4/c1-14-16(9-6-10-17(14)21(23)24)19-18(22)13-20(2)11-12-25-15-7-4-3-5-8-15/h3-10H,11-13H2,1-2H3,(H,19,22)
InChIKeyFKRJPLGWZDKKHX-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.85
Rot. Bonds8

About N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide

N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (PubChem CID 27203177) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
PubChem CID27203177
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCc1c(NC(=O)CN(C)CCOc2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H21N3O4/c1-14-16(9-6-10-17(14)21(23)24)19-18(22)13-20(2)11-12-25-15-7-4-3-5-8-15/h3-10H,11-13H2,1-2H3,(H,19,22)
InChIKeyFKRJPLGWZDKKHX-UHFFFAOYSA-N
XLogP2.85
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4,5-dimethyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797888
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 4879284
3-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methyl-3-nitrophenyl)propanamide
CID 33477902
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(2-nitrophenyl)propanamide
CID 8514684
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 126413914
2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 92649117
methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate
CID 55831904
2-[methyl(naphthalen-2-yl)amino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 31377740
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
N-(2-methyl-3-nitrophenyl)-4-(2-nitrophenoxy)butanamide
CID 84549848
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (CID 27203177) is N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is Cc1c(NC(=O)CN(C)CCOc2ccccc2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The InChIKey is FKRJPLGWZDKKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-14-16(9-6-10-17(14)21(23)24)19-18(22)13-20(2)11-12-25-15-7-4-3-5-8-15/h3-10H,11-13H2,1-2H3,(H,19,22).
What are the key properties of N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide has a molecular weight of 343.38 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is sourced from PubChem (CID 27203177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).