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

C16H23N3O3 — CID 55381834

IUPAC2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide
SMILESCC1CCC(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C16H23N3O3/c1-12-3-7-14(8-4-12)18(2)11-16(20)17-13-5-9-15(10-6-13)19(21)22/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,17,20)
InChIKeyFXSYRKOGUJPBFR-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.04
Rot. Bonds5

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

2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide (PubChem CID 55381834) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide
PubChem CID55381834
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide
SMILESCC1CCC(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C16H23N3O3/c1-12-3-7-14(8-4-12)18(2)11-16(20)17-13-5-9-15(10-6-13)19(21)22/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,17,20)
InChIKeyFXSYRKOGUJPBFR-UHFFFAOYSA-N
XLogP3.04
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.04
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'}

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Related Compounds

2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8930781
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide
CID 9261119
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 51199817
2-cyclohexyl-N-(4-nitrophenyl)acetamide
CID 2911775
1-(3-methylcyclopentyl)-3-(4-nitrophenyl)urea
CID 114552539
[2-(4-nitroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020396
2-nitro-N-(4-nitrophenyl)acetamide
CID 19743312
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8583375
1-cyclopropyl-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea
CID 43429980
2-[methyl(naphthalen-2-yl)amino]-N-(4-nitrophenyl)acetamide
CID 8593287

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide (CID 55381834) is 2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide is CC1CCC(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide?
The InChIKey is FXSYRKOGUJPBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12-3-7-14(8-4-12)18(2)11-16(20)17-13-5-9-15(10-6-13)19(21)22/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H,17,20).
What are the key properties of 2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide?
2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylcyclohexyl)amino]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 55381834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).