2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate

C16H20NO4- — CID 4077070

IUPAC2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate
SMILESCOc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1
InChIInChI=1S/C16H21NO4/c1-21-13-6-4-12(5-7-13)17-14(18)10-16(11-15(19)20)8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyRAABXFLZCOCXHQ-UHFFFAOYSA-M
MW290.34 g/mol
LogP1.72
Rot. Bonds6

About 2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate

2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate (PubChem CID 4077070) has the molecular formula C16H20NO4- and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate.

Molecular Properties

Compound Name2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate
PubChem CID4077070
Molecular FormulaC16H20NO4-
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate
SMILESCOc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1
InChIInChI=1S/C16H21NO4/c1-21-13-6-4-12(5-7-13)17-14(18)10-16(11-15(19)20)8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyRAABXFLZCOCXHQ-UHFFFAOYSA-M
XLogP1.72
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]-N-(4-methoxyphenyl)acetamide
CID 4501300
2-[1-[2-(4-tert-butylanilino)-2-oxoethyl]cyclohexyl]acetate
CID 8006656
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 62007740
5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
CID 6953047
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methoxyphenyl)acetamide
CID 2708830
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide
CID 2958215
1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 7018136
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate?
The IUPAC name of 2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate (CID 4077070) is 2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate.
What is the SMILES notation for 2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate?
The canonical SMILES for 2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate is COc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1.
What is the InChIKey of 2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate?
The InChIKey is RAABXFLZCOCXHQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H21NO4/c1-21-13-6-4-12(5-7-13)17-14(18)10-16(11-15(19)20)8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,17,18)(H,19,20)/p-1.
What are the key properties of 2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate?
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate has a molecular weight of 290.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxyanilino)-2-oxoethyl]cyclopentyl]acetate is sourced from PubChem (CID 4077070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).