methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate

C14H21NO2 — CID 60788368

IUPACmethyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate
SMILESCCNC(C)(C(=O)OC)c1ccc(CC)cc1
InChIInChI=1S/C14H21NO2/c1-5-11-7-9-12(10-8-11)14(3,15-6-2)13(16)17-4/h7-10,15H,5-6H2,1-4H3
InChIKeyQYVCKPNIYDTDSU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.25
Rot. Bonds5

About methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate

methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate (PubChem CID 60788368) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate
PubChem CID60788368
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate
SMILESCCNC(C)(C(=O)OC)c1ccc(CC)cc1
InChIInChI=1S/C14H21NO2/c1-5-11-7-9-12(10-8-11)14(3,15-6-2)13(16)17-4/h7-10,15H,5-6H2,1-4H3
InChIKeyQYVCKPNIYDTDSU-UHFFFAOYSA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate
CID 61001430
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55070744
methyl 2-(3-bromophenyl)-2-(ethylamino)propanoate
CID 60788201
ethyl 2-(4-ethylphenyl)-2-(prop-2-enylamino)propanoate
CID 55063576
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate
CID 54918112
methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate
CID 60795651
methyl 2-(propylamino)-2-pyridin-4-ylpropanoate
CID 60795990
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide
CID 54891464
methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895289
1-ethyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 22506294

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate?
The IUPAC name of methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate (CID 60788368) is methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate is CCNC(C)(C(=O)OC)c1ccc(CC)cc1.
What is the InChIKey of methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate?
The InChIKey is QYVCKPNIYDTDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-11-7-9-12(10-8-11)14(3,15-6-2)13(16)17-4/h7-10,15H,5-6H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate?
methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate has a molecular weight of 235.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate is sourced from PubChem (CID 60788368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).