methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate

C16H23NO2 — CID 63445570

IUPACmethyl 4-(1-cyclopentylethylamino)-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(C)C2CCCC2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-11-10-14(16(18)19-3)8-9-15(11)17-12(2)13-6-4-5-7-13/h8-10,12-13,17H,4-7H2,1-3H3
InChIKeyHYYXWXSYKXRSLQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.77
Rot. Bonds4

About methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate

methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate (PubChem CID 63445570) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(1-cyclopentylethylamino)-3-methylbenzoate
PubChem CID63445570
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 4-(1-cyclopentylethylamino)-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(C)C2CCCC2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-11-10-14(16(18)19-3)8-9-15(11)17-12(2)13-6-4-5-7-13/h8-10,12-13,17H,4-7H2,1-3H3
InChIKeyHYYXWXSYKXRSLQ-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-(1-cyclohexylethylamino)benzoate
CID 43784631
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
CID 63451061
methyl 3-methyl-4-[(3-propan-2-ylcyclobutyl)amino]benzoate
CID 103561438
methyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoate
CID 66174126
N-(1-cyclohexylethyl)-2,4-dimethylaniline
CID 43755727
4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide
CID 54864939
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
methyl 4-[[2-(cyclopentylamino)acetyl]amino]-3-methylbenzoate
CID 60849797
methyl 4-(1-methoxypropan-2-ylamino)-3-methylbenzoate
CID 62535082
methyl 3-methyl-4-(oxepan-4-ylamino)benzoate
CID 65081947
methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
CID 43712698

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate?
The IUPAC name of methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate (CID 63445570) is methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate.
What is the SMILES notation for methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate?
The canonical SMILES for methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate is COC(=O)c1ccc(NC(C)C2CCCC2)c(C)c1.
What is the InChIKey of methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate?
The InChIKey is HYYXWXSYKXRSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-10-14(16(18)19-3)8-9-15(11)17-12(2)13-6-4-5-7-13/h8-10,12-13,17H,4-7H2,1-3H3.
What are the key properties of methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate?
methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate has a molecular weight of 261.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate is sourced from PubChem (CID 63445570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).