ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate

C17H27NO3 — CID 61025042

IUPACethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)CC)c1cc(C)ccc1OC
InChIInChI=1S/C17H27NO3/c1-7-13(4)18-17(5,16(19)21-8-2)14-11-12(3)9-10-15(14)20-6/h9-11,13,18H,7-8H2,1-6H3
InChIKeyPIBOUUNTSFCURH-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.17
Rot. Bonds7

About ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate

ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate (PubChem CID 61025042) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
PubChem CID61025042
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(NC(C)CC)c1cc(C)ccc1OC
InChIInChI=1S/C17H27NO3/c1-7-13(4)18-17(5,16(19)21-8-2)14-11-12(3)9-10-15(14)20-6/h9-11,13,18H,7-8H2,1-6H3
InChIKeyPIBOUUNTSFCURH-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopropylamino)-2-(2-methoxy-5-methylphenyl)propanoate
CID 60796294
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 61048608
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
CID 61025459
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-amino-2-(2-methoxy-5-methylphenyl)butanoate
CID 5022792
ethyl 3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoate
CID 55071451
2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 43753817
ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
CID 54907921
methyl 2-(2-methoxy-5-methylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55062919

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate?
The IUPAC name of ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate (CID 61025042) is ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate?
The canonical SMILES for ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate is CCOC(=O)C(C)(NC(C)CC)c1cc(C)ccc1OC.
What is the InChIKey of ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate?
The InChIKey is PIBOUUNTSFCURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-7-13(4)18-17(5,16(19)21-8-2)14-11-12(3)9-10-15(14)20-6/h9-11,13,18H,7-8H2,1-6H3.
What are the key properties of ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate?
ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate has a molecular weight of 293.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(butan-2-ylamino)-2-(2-methoxy-5-methylphenyl)propanoate is sourced from PubChem (CID 61025042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).