methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate

C16H21NO3 — CID 112729549

IUPACmethyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)C1(C)CCCC1
InChIInChI=1S/C16H21NO3/c1-11-6-7-13(12(10-11)14(18)20-3)17-15(19)16(2)8-4-5-9-16/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyYNZIFPSAKIDRLQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.30
Rot. Bonds3

About methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate

methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate (PubChem CID 112729549) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate
PubChem CID112729549
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)C1(C)CCCC1
InChIInChI=1S/C16H21NO3/c1-11-6-7-13(12(10-11)14(18)20-3)17-15(19)16(2)8-4-5-9-16/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19)
InChIKeyYNZIFPSAKIDRLQ-UHFFFAOYSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate?
The IUPAC name of methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate (CID 112729549) is methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate.
What is the SMILES notation for methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate?
The canonical SMILES for methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate is COC(=O)c1cc(C)ccc1NC(=O)C1(C)CCCC1.
What is the InChIKey of methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate?
The InChIKey is YNZIFPSAKIDRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-6-7-13(12(10-11)14(18)20-3)17-15(19)16(2)8-4-5-9-16/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,19).
What are the key properties of methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate?
methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate has a molecular weight of 275.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate is sourced from PubChem (CID 112729549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).