tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate

C16H25NO2 — CID 70950358

IUPACtert-butyl 2-[(4-ethylphenyl)methylamino]propanoate
SMILESCCc1ccc(CNC(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-6-13-7-9-14(10-8-13)11-17-12(2)15(18)19-16(3,4)5/h7-10,12,17H,6,11H2,1-5H3
InChIKeyPXDDQJGPCPXSGK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.07
Rot. Bonds5

About tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate

tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate (PubChem CID 70950358) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[(4-ethylphenyl)methylamino]propanoate
PubChem CID70950358
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nametert-butyl 2-[(4-ethylphenyl)methylamino]propanoate
SMILESCCc1ccc(CNC(C)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-6-13-7-9-14(10-8-13)11-17-12(2)15(18)19-16(3,4)5/h7-10,12,17H,6,11H2,1-5H3
InChIKeyPXDDQJGPCPXSGK-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[[4-(2-methylbutan-2-yl)phenyl]methylamino]propanoate
CID 71192096
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]propanoate
CID 64687344
tert-butyl 2-(furan-3-ylmethylamino)propanoate
CID 115626166
tert-butyl (2S)-2-[[(2S)-2-(benzylamino)propanoyl]amino]propanoate
CID 175893228
methyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylamino]propanoate
CID 107239586
2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]propanoic acid
CID 107244230
tert-butyl 3-(4-ethylphenyl)-3-hydroxy-2-methylpropanoate
CID 66337628
tert-butyl (2R)-2-(furan-2-ylmethylamino)propanoate
CID 103773961
tert-butyl (2S,3S)-2-[[4-(methoxymethyl)phenyl]methylamino]-3-methylpentanoate
CID 75449922
ethyl 2-[(4-propylphenyl)methylamino]propanoate
CID 83307592
N,N-diethyl-2-[(4-ethylphenyl)methylamino]propanamide
CID 43739384
ethyl 2-[(4-methylsulfanylphenyl)methylamino]propanoate
CID 54960333

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate?
The IUPAC name of tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate (CID 70950358) is tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate.
What is the SMILES notation for tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate?
The canonical SMILES for tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate is CCc1ccc(CNC(C)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate?
The InChIKey is PXDDQJGPCPXSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-13-7-9-14(10-8-13)11-17-12(2)15(18)19-16(3,4)5/h7-10,12,17H,6,11H2,1-5H3.
What are the key properties of tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate?
tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate has a molecular weight of 263.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate is sourced from PubChem (CID 70950358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).