methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate

C15H23NO3 — CID 116694272

IUPACmethyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate
SMILESCOCCC(NC(C)C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(2)16-15(10-11-18-3,14(17)19-4)13-8-6-5-7-9-13/h5-9,12,16H,10-11H2,1-4H3
InChIKeyLSPBNDAQBKUKEW-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.09
Rot. Bonds7

About methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate

methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate (PubChem CID 116694272) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate
PubChem CID116694272
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate
SMILESCOCCC(NC(C)C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(2)16-15(10-11-18-3,14(17)19-4)13-8-6-5-7-9-13/h5-9,12,16H,10-11H2,1-4H3
InChIKeyLSPBNDAQBKUKEW-UHFFFAOYSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate
CID 116694411
methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate
CID 102984075
4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide
CID 102607453
methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
CID 116694335
2,3-diphenyl-2-(propan-2-ylamino)propanamide
CID 60787356
methyl 2-(methylamino)-4-(3-methylbutylsulfanyl)-2-phenylbutanoate
CID 107756352
methyl 4-methyl-2-phenyl-2-(prop-2-ynylamino)pentanoate
CID 62365289
2-(2-methoxyethylamino)-2-phenylpentanamide
CID 55084877
ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
CID 116694178
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
methyl 4-(4-hydroxybutan-2-ylsulfanyl)-2-(methylamino)-2-phenylbutanoate
CID 116694773

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate (CID 116694272) is methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate is COCCC(NC(C)C)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate?
The InChIKey is LSPBNDAQBKUKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(2)16-15(10-11-18-3,14(17)19-4)13-8-6-5-7-9-13/h5-9,12,16H,10-11H2,1-4H3.
What are the key properties of methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate?
methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 116694272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).