methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate

C18H27NO4 — CID 160793774

IUPACmethyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1C(C)OC)C(=O)C(C)(C)C
InChIInChI=1S/C18H27NO4/c1-13(22-5)15-10-8-7-9-14(15)11-19(12-16(20)23-6)17(21)18(2,3)4/h7-10,13H,11-12H2,1-6H3
InChIKeyDSZOTQKWWJIKQT-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.94
Rot. Bonds6

About methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate

methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate (PubChem CID 160793774) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate
PubChem CID160793774
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Namemethyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1C(C)OC)C(=O)C(C)(C)C
InChIInChI=1S/C18H27NO4/c1-13(22-5)15-10-8-7-9-14(15)11-19(12-16(20)23-6)17(21)18(2,3)4/h7-10,13H,11-12H2,1-6H3
InChIKeyDSZOTQKWWJIKQT-UHFFFAOYSA-N
XLogP2.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate
CID 159229214
methyl 2-[(2-cyanophenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate
CID 142473319
2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetic acid
CID 159229213
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-[benzyl-(2-methyl-4-oxopentanoyl)amino]acetate
CID 11975463
methyl 2-[[(2S)-2-amino-3-methylbutanoyl]-benzylamino]acetate
CID 61163965
methyl 2-[(2-amino-3-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 139401086
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114917
1-[2-(1-methoxyethyl)phenyl]propan-2-amine
CID 117111257
N-[[2-[(1-aminoethylideneamino)methyl]phenyl]methyl]-N-(2-amino-2-oxoethyl)-2,2-dimethylpropanamide
CID 142473522
3-[2-(1-methoxyethyl)phenyl]-3-methylbutanoic acid
CID 115112920

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate?
The IUPAC name of methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate (CID 160793774) is methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate.
What is the SMILES notation for methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate?
The canonical SMILES for methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate is COC(=O)CN(Cc1ccccc1C(C)OC)C(=O)C(C)(C)C.
What is the InChIKey of methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate?
The InChIKey is DSZOTQKWWJIKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-13(22-5)15-10-8-7-9-14(15)11-19(12-16(20)23-6)17(21)18(2,3)4/h7-10,13H,11-12H2,1-6H3.
What are the key properties of methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate?
methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate has a molecular weight of 321.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,2-dimethylpropanoyl-[[2-(1-methoxyethyl)phenyl]methyl]amino]acetate is sourced from PubChem (CID 160793774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).