ethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate

C19H26ClNO4 — CID 67438995

IUPACethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C(C)c2ccc(Cl)cc2C)CCC(OC)C1
InChIInChI=1S/C19H26ClNO4/c1-5-25-18(23)19(9-8-15(11-19)24-4)21-17(22)13(3)16-7-6-14(20)10-12(16)2/h6-7,10,13,15H,5,8-9,11H2,1-4H3,(H,21,22)
InChIKeyOCLBCUPKUDTDHA-UHFFFAOYSA-N
MW367.87 g/mol
LogP3.37
Rot. Bonds6

About ethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate

ethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate (PubChem CID 67438995) has the molecular formula C19H26ClNO4 and a molecular weight of 367.87 g/mol. Its IUPAC name is ethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate
PubChem CID67438995
Molecular FormulaC19H26ClNO4
Molecular Weight367.87 g/mol
Exact Mass367.16
IUPAC Nameethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C(C)c2ccc(Cl)cc2C)CCC(OC)C1
InChIInChI=1S/C19H26ClNO4/c1-5-25-18(23)19(9-8-15(11-19)24-4)21-17(22)13(3)16-7-6-14(20)10-12(16)2/h6-7,10,13,15H,5,8-9,11H2,1-4H3,(H,21,22)
InChIKeyOCLBCUPKUDTDHA-UHFFFAOYSA-N
XLogP3.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate (CID 67438995) is ethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate is CCOC(=O)C1(NC(=O)C(C)c2ccc(Cl)cc2C)CCC(OC)C1.
What is the InChIKey of ethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate?
The InChIKey is OCLBCUPKUDTDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClNO4/c1-5-25-18(23)19(9-8-15(11-19)24-4)21-17(22)13(3)16-7-6-14(20)10-12(16)2/h6-7,10,13,15H,5,8-9,11H2,1-4H3,(H,21,22).
What are the key properties of ethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate?
ethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate has a molecular weight of 367.87 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-chloro-2-methylphenyl)propanoylamino]-3-methoxycyclopentane-1-carboxylate is sourced from PubChem (CID 67438995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).