methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate

C16H25NO2 — CID 43725966

IUPACmethyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate
SMILESCOC(=O)C(C)(C)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(2)11-14(13-9-7-6-8-10-13)17-16(3,4)15(18)19-5/h6-10,12,14,17H,11H2,1-5H3
InChIKeySLOVNNVHWNAQPA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds6

About methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate

methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate (PubChem CID 43725966) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate
PubChem CID43725966
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate
SMILESCOC(=O)C(C)(C)NC(CC(C)C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-12(2)11-14(13-9-7-6-8-10-13)17-16(3,4)15(18)19-5/h6-10,12,14,17H,11H2,1-5H3
InChIKeySLOVNNVHWNAQPA-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
2-[(3-methyl-1-phenylbutyl)amino]acetic acid
CID 43135143
methyl 2-methyl-2-[1-(3-methylphenyl)ethylamino]propanoate
CID 43787172
methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate
CID 43787124
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
4-methoxy-4-methyl-N-(3-methyl-1-phenylbutyl)pentan-2-amine
CID 43711889
methyl 2,2-dimethyl-3-(1-phenylpropylamino)propanoate
CID 79623966
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
2-[(3-methyl-1-phenylbutyl)amino]acetamide
CID 16774188
methyl 2-[1-(3-hydroxyphenyl)ethylamino]-2-methylpropanoate
CID 43726102
2-(4-tert-butylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 92685438

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate (CID 43725966) is methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate is COC(=O)C(C)(C)NC(CC(C)C)c1ccccc1.
What is the InChIKey of methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate?
The InChIKey is SLOVNNVHWNAQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)11-14(13-9-7-6-8-10-13)17-16(3,4)15(18)19-5/h6-10,12,14,17H,11H2,1-5H3.
What are the key properties of methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate?
methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate has a molecular weight of 263.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(3-methyl-1-phenylbutyl)amino]propanoate is sourced from PubChem (CID 43725966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).