tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate

C19H29NO4 — CID 95289075

IUPACtert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate
SMILESCc1ccc(O[C@@H](C)C(=O)N(C)CCCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H29NO4/c1-14-9-11-16(12-10-14)23-15(2)18(22)20(6)13-7-8-17(21)24-19(3,4)5/h9-12,15H,7-8,13H2,1-6H3/t15-/m0/s1
InChIKeyOTBYMIYTHRIXCB-HNNXBMFYSA-N
MW335.44 g/mol
LogP3.34
Rot. Bonds7

About tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate

tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate (PubChem CID 95289075) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate
PubChem CID95289075
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nametert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate
SMILESCc1ccc(O[C@@H](C)C(=O)N(C)CCCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H29NO4/c1-14-9-11-16(12-10-14)23-15(2)18(22)20(6)13-7-8-17(21)24-19(3,4)5/h9-12,15H,7-8,13H2,1-6H3/t15-/m0/s1
InChIKeyOTBYMIYTHRIXCB-HNNXBMFYSA-N
XLogP3.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-tert-butylphenoxy)propanoyl-methylamino]butanoic acid
CID 119172580
4-[methyl-[2-(4-methylsulfanylphenoxy)propanoyl]amino]butanoic acid
CID 119173255
4-[2-(4-bromophenoxy)propanoyl-methylamino]butanoic acid
CID 43240368
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119654882
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 78770345
methyl 3-[methyl-[2-(3-methylphenoxy)propanoyl]amino]propanoate
CID 61030275
tert-butyl 5-methyl-7-(4-methylphenyl)-7-oxoheptanoate
CID 158309959
4-[2-(3-fluorophenoxy)propanoyl-methylamino]butanoic acid
CID 43360056
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 43905077
N-(2-anilino-2-oxoethyl)-N-methyl-2-(4-methylphenoxy)propanamide
CID 46808222
tert-butyl 5-methyl-4-(4-methylphenyl)hexanoate
CID 58439497
tert-butyl 4,4-bis[4-(dimethoxymethoxy)phenyl]pentanoate
CID 15375051

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate?
The IUPAC name of tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate (CID 95289075) is tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate.
What is the SMILES notation for tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate?
The canonical SMILES for tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate is Cc1ccc(O[C@@H](C)C(=O)N(C)CCCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate?
The InChIKey is OTBYMIYTHRIXCB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-14-9-11-16(12-10-14)23-15(2)18(22)20(6)13-7-8-17(21)24-19(3,4)5/h9-12,15H,7-8,13H2,1-6H3/t15-/m0/s1.
What are the key properties of tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate?
tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate has a molecular weight of 335.44 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methyl-[(2S)-2-(4-methylphenoxy)propanoyl]amino]butanoate is sourced from PubChem (CID 95289075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).