(3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate

C16H25NO3 — CID 106666111

IUPAC(3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate
SMILESCOC(C)(C)CCOC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H25NO3/c1-16(2,19-3)11-12-20-15(18)10-9-14(17)13-7-5-4-6-8-13/h4-8,14H,9-12,17H2,1-3H3
InChIKeyJNXXAJKPNZQAIV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.82
Rot. Bonds8

About (3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate

(3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate (PubChem CID 106666111) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate.

Molecular Properties

Compound Name(3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate
PubChem CID106666111
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate
SMILESCOC(C)(C)CCOC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H25NO3/c1-16(2,19-3)11-12-20-15(18)10-9-14(17)13-7-5-4-6-8-13/h4-8,14H,9-12,17H2,1-3H3
InChIKeyJNXXAJKPNZQAIV-UHFFFAOYSA-N
XLogP2.82
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-3-methylbutyl) 3-phenyl-2-sulfanylpropanoate
CID 107019176
(3-methoxy-3-methylbutyl) 4-(2-aminoethyl)-5,5-dimethylhexanoate
CID 106666154
methyl 7-amino-7-phenylheptanoate
CID 139616773
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
1-amino-5-methyl-1-phenylheptan-4-one
CID 116570769
[(3S)-3-amino-3-phenylpropyl] carbamate
CID 90391967
(3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate
CID 106666213
2-(3-methoxy-3-methylbutoxy)-3-methyl-1-phenylbutan-1-amine
CID 106665422
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
(3-methoxy-3-methylbutyl) 2-(3-aminophenyl)propanoate
CID 106592409
4-amino-1,4-diphenylbutan-1-one
CID 116570833

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate?
The IUPAC name of (3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate (CID 106666111) is (3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate.
What is the SMILES notation for (3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate?
The canonical SMILES for (3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate is COC(C)(C)CCOC(=O)CCC(N)c1ccccc1.
What is the InChIKey of (3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate?
The InChIKey is JNXXAJKPNZQAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2,19-3)11-12-20-15(18)10-9-14(17)13-7-5-4-6-8-13/h4-8,14H,9-12,17H2,1-3H3.
What are the key properties of (3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate?
(3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate has a molecular weight of 279.38 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-3-methylbutyl) 4-amino-4-phenylbutanoate is sourced from PubChem (CID 106666111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).