methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate

C22H35NO5 — CID 100754429

IUPACmethyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate
SMILESCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OC)ccc1OC(C)C
InChIInChI=1S/C22H35NO5/c1-14(2)12-22(27-8,13-15(3)4)21(25)23-17-9-10-19(28-16(5)6)18(11-17)20(24)26-7/h9-11,14-16H,12-13H2,1-8H3,(H,23,25)
InChIKeyMWEWYDUOKBCUGI-UHFFFAOYSA-N
MW393.52 g/mol
LogP4.68
Rot. Bonds10

About methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate

methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate (PubChem CID 100754429) has the molecular formula C22H35NO5 and a molecular weight of 393.52 g/mol. Its IUPAC name is methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate
PubChem CID100754429
Molecular FormulaC22H35NO5
Molecular Weight393.52 g/mol
Exact Mass393.25
IUPAC Namemethyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate
SMILESCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OC)ccc1OC(C)C
InChIInChI=1S/C22H35NO5/c1-14(2)12-22(27-8,13-15(3)4)21(25)23-17-9-10-19(28-16(5)6)18(11-17)20(24)26-7/h9-11,14-16H,12-13H2,1-8H3,(H,23,25)
InChIKeyMWEWYDUOKBCUGI-UHFFFAOYSA-N
XLogP4.68
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate 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

methyl 5-[[(2R)-2-methoxy-2-methylbutanoyl]amino]-2-propan-2-yloxybenzoate
CID 100752495
N-(3-chloro-4-ethoxyphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699464
N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699402
methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate
CID 100759329
methyl 2-(2-methylpropoxy)-5-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 100750408
N-(4-cyclopentyloxy-3-methylphenyl)-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699214
ethyl 2-methoxy-5-[[(2S)-2-methoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100753156
methyl 2-butoxy-5-[(2-ethoxy-2,4-dimethylpentanoyl)amino]benzoate
CID 133230017
ethyl 2-ethoxy-5-[[4-methyl-2-(2-methylpropyl)-2-propoxypentanoyl]amino]benzoate
CID 100765542
ethyl 5-[[(2R)-2-methoxy-2,4-dimethylpentanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100753240
methyl 2-ethoxy-5-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 100750375
ethyl 5-[(2-ethoxy-2-methylheptanoyl)amino]-2-propan-2-yloxybenzoate
CID 133203899

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate?
The IUPAC name of methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate (CID 100754429) is methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate?
The canonical SMILES for methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate is COC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OC)ccc1OC(C)C.
What is the InChIKey of methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate?
The InChIKey is MWEWYDUOKBCUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO5/c1-14(2)12-22(27-8,13-15(3)4)21(25)23-17-9-10-19(28-16(5)6)18(11-17)20(24)26-7/h9-11,14-16H,12-13H2,1-8H3,(H,23,25).
What are the key properties of methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate?
methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate has a molecular weight of 393.52 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-methoxy-4-methyl-2-(2-methylpropyl)pentanoyl]amino]-2-propan-2-yloxybenzoate is sourced from PubChem (CID 100754429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).