N-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide

C18H21N3O4 — CID 4879469

IUPACN-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CCOc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H21N3O4/c1-14-8-9-16(17(12-14)21(23)24)19-18(22)13-20(2)10-11-25-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,19,22)
InChIKeyCPKQPGMVAQNPJH-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.85
Rot. Bonds8

About N-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide

N-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (PubChem CID 4879469) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
PubChem CID4879469
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)CCOc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H21N3O4/c1-14-8-9-16(17(12-14)21(23)24)19-18(22)13-20(2)10-11-25-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,19,22)
InChIKeyCPKQPGMVAQNPJH-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-Methoxy-2-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 563135
N2-{4-[(4-nitrobenzyl)oxy]benzyl}glycinamide
CID 23625204
2-((4-isopropoxyphenyl)amino)-N-(p-tolyl)acetamide
CID 725331
(E)-N-(2-ethoxyphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 889985
2-phenoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1395233
N-[2-(3-methylphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroaniline
CID 2854661
N-[2-(2-methylphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)aniline
CID 2900701
N-[2-(4-methylphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)aniline
CID 2901871
N-[2-(3-methylphenoxy)ethyl]-2-nitro-4-(trifluoromethyl)aniline
CID 2902105
2-nitro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline
CID 3262734
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 4029048
2-(2-ethoxyanilino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 4880385

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The IUPAC name of N-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide (CID 4879469) is N-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide.
What is the SMILES notation for N-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The canonical SMILES for N-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is Cc1ccc(NC(=O)CN(C)CCOc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
The InChIKey is CPKQPGMVAQNPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-14-8-9-16(17(12-14)21(23)24)19-18(22)13-20(2)10-11-25-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,19,22).
What are the key properties of N-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide?
N-(4-methyl-2-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-(4-methyl-2-nitrophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide is sourced from PubChem (CID 4879469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).