methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate

C17H27NO2 — CID 61001430

IUPACmethyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate
SMILESCCCc1ccc(C(C)(NCC(C)C)C(=O)OC)cc1
InChIInChI=1S/C17H27NO2/c1-6-7-14-8-10-15(11-9-14)17(4,16(19)20-5)18-12-13(2)3/h8-11,13,18H,6-7,12H2,1-5H3
InChIKeyOIOVHLKVKFEKRS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.27
Rot. Bonds7

About methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate

methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate (PubChem CID 61001430) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate
PubChem CID61001430
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Namemethyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate
SMILESCCCc1ccc(C(C)(NCC(C)C)C(=O)OC)cc1
InChIInChI=1S/C17H27NO2/c1-6-7-14-8-10-15(11-9-14)17(4,16(19)20-5)18-12-13(2)3/h8-11,13,18H,6-7,12H2,1-5H3
InChIKeyOIOVHLKVKFEKRS-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895289
methyl 2-(ethylamino)-2-(4-ethylphenyl)propanoate
CID 60788368
methyl 2-(cyclopropylamino)-2-(4-propylphenyl)propanoate
CID 60795651
2-(4-ethylphenyl)-2-(2-methylpropylamino)propanamide
CID 54891464
methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
CID 61002525
methyl 3-(ethylamino)-3-(4-propylphenyl)butanoate
CID 65235254
methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895287
methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate
CID 54895241
2-hydrazinyl-2-(4-propylphenyl)propanoic acid
CID 82127906
methyl 2-(4-butylphenyl)-2-methylpropanoate
CID 67631955
methyl 2,2-dimethyl-3-oxo-3-(4-propylphenyl)propanoate
CID 116919228
methyl 2-hydroxy-2-propan-2-yl-3-(4-propylphenyl)butanoate
CID 79298782

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate?
The IUPAC name of methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate (CID 61001430) is methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate.
What is the SMILES notation for methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate?
The canonical SMILES for methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate is CCCc1ccc(C(C)(NCC(C)C)C(=O)OC)cc1.
What is the InChIKey of methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate?
The InChIKey is OIOVHLKVKFEKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-7-14-8-10-15(11-9-14)17(4,16(19)20-5)18-12-13(2)3/h8-11,13,18H,6-7,12H2,1-5H3.
What are the key properties of methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate?
methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate has a molecular weight of 277.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate is sourced from PubChem (CID 61001430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).