ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate

C16H25NO2 — CID 54907922

IUPACethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)CC)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-6-13(4)17-16(5,15(18)19-7-2)14-10-8-12(3)9-11-14/h8-11,13,17H,6-7H2,1-5H3
InChIKeyANEUHYINLQSVMN-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds6

About ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate

ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate (PubChem CID 54907922) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
PubChem CID54907922
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)CC)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2/c1-6-13(4)17-16(5,15(18)19-7-2)14-10-8-12(3)9-11-14/h8-11,13,17H,6-7H2,1-5H3
InChIKeyANEUHYINLQSVMN-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
CID 54907921
ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
CID 61025459
ethyl 2-(4-tert-butylphenyl)-2-(propan-2-ylamino)propanoate
CID 60786846
ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 61025042
ethyl 2-(propan-2-ylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 60788346
ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate
CID 117047921
ethyl 2-(3,4-dimethylphenyl)-2-(propan-2-ylamino)propanoate
CID 60788348
2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
CID 61024139
ethyl 2-(butan-2-ylamino)-2-(2,5-dichlorophenyl)propanoate
CID 61025629
2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)propanamide
CID 54908499
ethyl 2-(butan-2-ylamino)-2-(2,4-dichloro-5-fluorophenyl)propanoate
CID 63523954
ethyl 2,3-dihydroxy-2-(4-methylphenyl)butanoate
CID 141091665

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate?
The IUPAC name of ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate (CID 54907922) is ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate?
The canonical SMILES for ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate is CCOC(=O)C(C)(NC(C)CC)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate?
The InChIKey is ANEUHYINLQSVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-13(4)17-16(5,15(18)19-7-2)14-10-8-12(3)9-11-14/h8-11,13,17H,6-7H2,1-5H3.
What are the key properties of ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate?
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate has a molecular weight of 263.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate is sourced from PubChem (CID 54907922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).