ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate

C18H29NO2 — CID 60786846

IUPACethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)(NC(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-8-21-16(20)18(7,19-13(2)3)15-11-9-14(10-12-15)17(4,5)6/h9-13,19H,8H2,1-7H3
InChIKeyKIXUQFDAERLPFW-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.76
Rot. Bonds5

About ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate

ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate (PubChem CID 60786846) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
PubChem CID60786846
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Nameethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
SMILESCCOC(=O)C(C)(NC(C)C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO2/c1-8-21-16(20)18(7,19-13(2)3)15-11-9-14(10-12-15)17(4,5)6/h9-13,19H,8H2,1-7H3
InChIKeyKIXUQFDAERLPFW-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60788346
ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate
CID 60788348
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
CID 54907921
ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
CID 61025459
ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate
CID 60787163
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
methyl 2-(4-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 60786327
ethyl 2-amino-2-(4-tert-butylphenyl)propanoate
CID 3918819
ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
CID 60796519
ethyl 2-(4-fluorophenyl)-2-(propan-2-ylamino)butanoate
CID 60786506
ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 62541881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate?
The IUPAC name of ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate (CID 60786846) is ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate is CCOC(=O)C(C)(NC(C)C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate?
The InChIKey is KIXUQFDAERLPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-8-21-16(20)18(7,19-13(2)3)15-11-9-14(10-12-15)17(4,5)6/h9-13,19H,8H2,1-7H3.
What are the key properties of ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate?
ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate has a molecular weight of 291.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 60786846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).