methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate

C15H18ClNO4 — CID 122142322

IUPACmethyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate
SMILESCOC(=O)CCc1cccc(Cl)c1OCC(=O)NC1CC1
InChIInChI=1S/C15H18ClNO4/c1-20-14(19)8-5-10-3-2-4-12(16)15(10)21-9-13(18)17-11-6-7-11/h2-4,11H,5-9H2,1H3,(H,17,18)
InChIKeyZAACLOVJOUGNBK-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.10
Rot. Bonds7

About methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate

methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate (PubChem CID 122142322) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate
PubChem CID122142322
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Namemethyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate
SMILESCOC(=O)CCc1cccc(Cl)c1OCC(=O)NC1CC1
InChIInChI=1S/C15H18ClNO4/c1-20-14(19)8-5-10-3-2-4-12(16)15(10)21-9-13(18)17-11-6-7-11/h2-4,11H,5-9H2,1H3,(H,17,18)
InChIKeyZAACLOVJOUGNBK-UHFFFAOYSA-N
XLogP2.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-cyclopentylacetamide
CID 115952913
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N-prop-2-ynylacetamide
CID 115953715
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 112614976
N-carbamoyl-2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]acetamide
CID 115953806
2-(3-chloro-2-ethoxyphenyl)-N-[3-(dimethylamino)cyclopentyl]acetamide
CID 91662652
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
2-[2-chloro-6-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylacetamide
CID 112609936
N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
N-cyclopropyl-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978329
methyl 3-[2-(aminomethyl)-6-chlorophenoxy]propanoate
CID 112607628
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2432962

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate (CID 122142322) is methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate is COC(=O)CCc1cccc(Cl)c1OCC(=O)NC1CC1.
What is the InChIKey of methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate?
The InChIKey is ZAACLOVJOUGNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-20-14(19)8-5-10-3-2-4-12(16)15(10)21-9-13(18)17-11-6-7-11/h2-4,11H,5-9H2,1H3,(H,17,18).
What are the key properties of methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate?
methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate has a molecular weight of 311.76 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-chloro-2-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]propanoate is sourced from PubChem (CID 122142322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).