methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate

C19H29NO4 — CID 55584646

IUPACmethyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)COc1cc(C)ccc1C(C)C)C(=O)OC
InChIInChI=1S/C19H29NO4/c1-7-10-19(5,18(22)23-6)20-17(21)12-24-16-11-14(4)8-9-15(16)13(2)3/h8-9,11,13H,7,10,12H2,1-6H3,(H,20,21)
InChIKeyRKTNRZOPQQQWCM-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.35
Rot. Bonds8

About methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate

methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate (PubChem CID 55584646) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate
PubChem CID55584646
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Namemethyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate
SMILESCCCC(C)(NC(=O)COc1cc(C)ccc1C(C)C)C(=O)OC
InChIInChI=1S/C19H29NO4/c1-7-10-19(5,18(22)23-6)20-17(21)12-24-16-11-14(4)8-9-15(16)13(2)3/h8-9,11,13H,7,10,12H2,1-6H3,(H,20,21)
InChIKeyRKTNRZOPQQQWCM-UHFFFAOYSA-N
XLogP3.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-butyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 4213436
(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 7581934
N-(3,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26218545
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
N-(2-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639941
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-2-methylpentanoic acid
CID 43618984
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 46411942
2-(5-methyl-2-propan-2-ylphenoxy)-N-(propylideneamino)acetamide
CID 5187756
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate (CID 55584646) is methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate is CCCC(C)(NC(=O)COc1cc(C)ccc1C(C)C)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate?
The InChIKey is RKTNRZOPQQQWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-7-10-19(5,18(22)23-6)20-17(21)12-24-16-11-14(4)8-9-15(16)13(2)3/h8-9,11,13H,7,10,12H2,1-6H3,(H,20,21).
What are the key properties of methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate?
methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate has a molecular weight of 335.44 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]pentanoate is sourced from PubChem (CID 55584646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).