methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate

C19H29NO4 — CID 55793330

IUPACmethyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate
SMILESCCCC(C)(NC(=O)C(C)Oc1cccc(C(C)C)c1)C(=O)OC
InChIInChI=1S/C19H29NO4/c1-7-11-19(5,18(22)23-6)20-17(21)14(4)24-16-10-8-9-15(12-16)13(2)3/h8-10,12-14H,7,11H2,1-6H3,(H,20,21)
InChIKeyASUUVBISHYJMKC-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.43
Rot. Bonds8

About methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate

methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate (PubChem CID 55793330) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate
PubChem CID55793330
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Namemethyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate
SMILESCCCC(C)(NC(=O)C(C)Oc1cccc(C(C)C)c1)C(=O)OC
InChIInChI=1S/C19H29NO4/c1-7-11-19(5,18(22)23-6)20-17(21)14(4)24-16-10-8-9-15(12-16)13(2)3/h8-10,12-14H,7,11H2,1-6H3,(H,20,21)
InChIKeyASUUVBISHYJMKC-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate
CID 78869482
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119606053
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119626548
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
CID 43618755
N-tert-butyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78933960
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119572861
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119572860
2-[2-(4-chlorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 43618948
methyl (2R)-4-methyl-2-[[(2R)-2-(3-propan-2-ylphenoxy)propanoyl]amino]pentanoate
CID 52652389
N-[2-methyl-4-(3-propan-2-ylphenoxy)butan-2-yl]acetamide
CID 10682991
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 16794467

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate (CID 55793330) is methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate is CCCC(C)(NC(=O)C(C)Oc1cccc(C(C)C)c1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate?
The InChIKey is ASUUVBISHYJMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-7-11-19(5,18(22)23-6)20-17(21)14(4)24-16-10-8-9-15(12-16)13(2)3/h8-10,12-14H,7,11H2,1-6H3,(H,20,21).
What are the key properties of methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate?
methyl 2-methyl-2-[2-(3-propan-2-ylphenoxy)propanoylamino]pentanoate has a molecular weight of 335.44 g/mol, XLogP of 3.43, 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-(3-propan-2-ylphenoxy)propanoylamino]pentanoate is sourced from PubChem (CID 55793330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).