methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate

C19H29NO3 — CID 159229214

IUPACmethyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C19H29NO3/c1-18(2,3)15-11-9-8-10-14(15)12-20(13-16(21)23-7)17(22)19(4,5)6/h8-11H,12-13H2,1-7H3
InChIKeyUJHCBQMTUCJKPO-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.53
Rot. Bonds4

About methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate

methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate (PubChem CID 159229214) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate
PubChem CID159229214
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Namemethyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1C(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C19H29NO3/c1-18(2,3)15-11-9-8-10-14(15)12-20(13-16(21)23-7)17(22)19(4,5)6/h8-11H,12-13H2,1-7H3
InChIKeyUJHCBQMTUCJKPO-UHFFFAOYSA-N
XLogP3.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetic acid
CID 159229213
methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate
CID 160793774
methyl 2-[(2-cyanophenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate
CID 142473319
methyl 4-(2-tert-butylphenyl)butanoate
CID 158714084
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114917
2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
CID 117111517
1-(2-tert-butylphenyl)-N,N-dimethylmethanamine
CID 21304895
methyl 2-[2-benzylprop-2-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 19011439
methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate
CID 79812574
methyl 2-[(2-amino-3-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 139401086
N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide
CID 142473522
1-tert-butyl-2-ethylbenzene;hydrogen peroxide
CID 88799251

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate?
The IUPAC name of methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate (CID 159229214) is methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate is COC(=O)CN(Cc1ccccc1C(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate?
The InChIKey is UJHCBQMTUCJKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-18(2,3)15-11-9-8-10-14(15)12-20(13-16(21)23-7)17(22)19(4,5)6/h8-11H,12-13H2,1-7H3.
What are the key properties of methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate?
methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate has a molecular weight of 319.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate is sourced from PubChem (CID 159229214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).