N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide

C19H20N2O4 — CID 2173161

IUPACN-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O4/c1-13-6-8-16(11-18(13)21(23)24)20-19(22)12-25-17-9-7-14-4-2-3-5-15(14)10-17/h6-11H,2-5,12H2,1H3,(H,20,22)
InChIKeyDVKDYLWDHPSXRK-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.80
Rot. Bonds5

About N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide

N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (PubChem CID 2173161) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
PubChem CID2173161
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
SMILESCc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1[N+](=O)[O-]
InChIInChI=1S/C19H20N2O4/c1-13-6-8-16(11-18(13)21(23)24)20-19(22)12-25-17-9-7-14-4-2-3-5-15(14)10-17/h6-11H,2-5,12H2,1H3,(H,20,22)
InChIKeyDVKDYLWDHPSXRK-UHFFFAOYSA-N
XLogP3.80
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
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'}

Analyze N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9141062
2-(3-bromophenoxy)-N-(4-methyl-3-nitrophenyl)acetamide
CID 23966900
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7235176
N-(4-tert-butylphenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 112978184
N-(4-methyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604937
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 112978228
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-methylpropanoate
CID 40618321
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
2-(3-methyl-4-nitrophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41458994
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 17105980

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (CID 2173161) is N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is Cc1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The InChIKey is DVKDYLWDHPSXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-6-8-16(11-18(13)21(23)24)20-19(22)12-25-17-9-7-14-4-2-3-5-15(14)10-17/h6-11H,2-5,12H2,1H3,(H,20,22).
What are the key properties of N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide has a molecular weight of 340.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is sourced from PubChem (CID 2173161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).