methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate

C17H23NO3 — CID 43409536

IUPACmethyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)CCC1CCCC1
InChIInChI=1S/C17H23NO3/c1-18(16(19)12-11-13-7-3-4-8-13)15-10-6-5-9-14(15)17(20)21-2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
InChIKeyHGIYNRFRCWQJKC-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.41
Rot. Bonds5

About methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate

methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate (PubChem CID 43409536) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate
PubChem CID43409536
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namemethyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)CCC1CCCC1
InChIInChI=1S/C17H23NO3/c1-18(16(19)12-11-13-7-3-4-8-13)15-10-6-5-9-14(15)17(20)21-2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3
InChIKeyHGIYNRFRCWQJKC-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62700811
methyl 2-[methyl-(2-methylcyclopropanecarbonyl)amino]benzoate
CID 43409538
methyl 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]benzoate
CID 43423118
methyl 2-[methyl(3-oxododecanoyl)amino]benzoate
CID 87566674
methyl 2-[cyclohexylsulfonyl(methyl)amino]benzoate
CID 61060789
methyl 2-(cyclopentylmethylamino)benzoate
CID 55030315
methyl 2-[azepane-1-carbonyl(methyl)amino]benzoate
CID 79157661
methyl 2-[4-(4-chlorophenyl)sulfanylbutanoyl-methylamino]benzoate
CID 112812111
methyl 2-(cyclohexylmethylamino)benzoate
CID 43087805
methyl 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzoate
CID 65166161

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate?
The IUPAC name of methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate (CID 43409536) is methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate.
What is the SMILES notation for methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate?
The canonical SMILES for methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate is COC(=O)c1ccccc1N(C)C(=O)CCC1CCCC1.
What is the InChIKey of methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate?
The InChIKey is HGIYNRFRCWQJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-18(16(19)12-11-13-7-3-4-8-13)15-10-6-5-9-14(15)17(20)21-2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate?
methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate has a molecular weight of 289.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-cyclopentylpropanoyl(methyl)amino]benzoate is sourced from PubChem (CID 43409536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).