methyl 2-(4-ethylphenyl)-2-(propylamino)acetate

C14H21NO2 — CID 60795755

IUPACmethyl 2-(4-ethylphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OC)c1ccc(CC)cc1
InChIInChI=1S/C14H21NO2/c1-4-10-15-13(14(16)17-3)12-8-6-11(5-2)7-9-12/h6-9,13,15H,4-5,10H2,1-3H3
InChIKeyKOWKOWVCGXAXKT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds6

About methyl 2-(4-ethylphenyl)-2-(propylamino)acetate

methyl 2-(4-ethylphenyl)-2-(propylamino)acetate (PubChem CID 60795755) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-(4-ethylphenyl)-2-(propylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-ethylphenyl)-2-(propylamino)acetate
PubChem CID60795755
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-(4-ethylphenyl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OC)c1ccc(CC)cc1
InChIInChI=1S/C14H21NO2/c1-4-10-15-13(14(16)17-3)12-8-6-11(5-2)7-9-12/h6-9,13,15H,4-5,10H2,1-3H3
InChIKeyKOWKOWVCGXAXKT-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(propylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]acetate
CID 60796385
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate
CID 60991285
2-(butylamino)-2-(4-ethylphenyl)acetic acid
CID 84747252
methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate
CID 62540489
methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate
CID 55084780
ethyl 2-(3,4-dimethylphenyl)-2-(propylamino)acetate
CID 60797038
3-[[carboxy-(4-ethylphenyl)methyl]amino]propanoic acid
CID 84747535
methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
CID 60993508
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
methyl 2-[amino-(4-ethylphenyl)methyl]butanoate
CID 116945955
methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate
CID 82344726

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethylphenyl)-2-(propylamino)acetate?
The IUPAC name of methyl 2-(4-ethylphenyl)-2-(propylamino)acetate (CID 60795755) is methyl 2-(4-ethylphenyl)-2-(propylamino)acetate.
What is the SMILES notation for methyl 2-(4-ethylphenyl)-2-(propylamino)acetate?
The canonical SMILES for methyl 2-(4-ethylphenyl)-2-(propylamino)acetate is CCCNC(C(=O)OC)c1ccc(CC)cc1.
What is the InChIKey of methyl 2-(4-ethylphenyl)-2-(propylamino)acetate?
The InChIKey is KOWKOWVCGXAXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-15-13(14(16)17-3)12-8-6-11(5-2)7-9-12/h6-9,13,15H,4-5,10H2,1-3H3.
What are the key properties of methyl 2-(4-ethylphenyl)-2-(propylamino)acetate?
methyl 2-(4-ethylphenyl)-2-(propylamino)acetate has a molecular weight of 235.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethylphenyl)-2-(propylamino)acetate is sourced from PubChem (CID 60795755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).