2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide

C16H23N3O3 — CID 8890661

IUPAC2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O3/c1-11-5-3-4-6-14(11)17-10-16(20)18-13-8-7-12(2)15(9-13)19(21)22/h7-9,11,14,17H,3-6,10H2,1-2H3,(H,18,20)/t11-,14+/m1/s1
InChIKeyVJHCOJIARXARME-RISCZKNCSA-N
MW305.38 g/mol
LogP3.01
Rot. Bonds5

About 2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide

2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide (PubChem CID 8890661) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide
PubChem CID8890661
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O3/c1-11-5-3-4-6-14(11)17-10-16(20)18-13-8-7-12(2)15(9-13)19(21)22/h7-9,11,14,17H,3-6,10H2,1-2H3,(H,18,20)/t11-,14+/m1/s1
InChIKeyVJHCOJIARXARME-RISCZKNCSA-N
XLogP3.01
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
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-[(2-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 43179972
N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 46801133
1-(2-hydroxycyclohexyl)-3-(4-methyl-3-nitrophenyl)urea
CID 110923455
4-methyl-N-[(1R,2S)-2-methylcyclohexyl]-3-nitrobenzamide
CID 2640742
N-(4-methyl-3-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604937
1-[2-(2-methylcyclohexyl)oxyethyl]-3-(4-methyl-3-nitrophenyl)urea
CID 47034684
3-methyl-N-(4-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 107067148
N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
CID 1133388
4-methyl-N-(4-methyl-3-nitrophenyl)pentanamide
CID 39753327
3-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 102777058
N-(4-chloro-2-nitrophenyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 112770341
4-chloro-N-(4-methyl-3-nitrophenyl)butanamide
CID 4067573

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide (CID 8890661) is 2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide is Cc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-].
What is the InChIKey of 2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide?
The InChIKey is VJHCOJIARXARME-RISCZKNCSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-5-3-4-6-14(11)17-10-16(20)18-13-8-7-12(2)15(9-13)19(21)22/h7-9,11,14,17H,3-6,10H2,1-2H3,(H,18,20)/t11-,14+/m1/s1.
What are the key properties of 2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide?
2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 8890661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).