3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate

C16H24NO3- — CID 140706005

IUPAC3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate
SMILESCON(C(c1ccccc1)C(C)C)C(C)(C)CC(=O)[O-]
InChIInChI=1S/C16H25NO3/c1-12(2)15(13-9-7-6-8-10-13)17(20-5)16(3,4)11-14(18)19/h6-10,12,15H,11H2,1-5H3,(H,18,19)/p-1
InChIKeyLIDYZZPHOPBJHM-UHFFFAOYSA-M
MW278.37 g/mol
LogP2.17
Rot. Bonds7

About 3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate

3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate (PubChem CID 140706005) has the molecular formula C16H24NO3- and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate
PubChem CID140706005
Molecular FormulaC16H24NO3-
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate
SMILESCON(C(c1ccccc1)C(C)C)C(C)(C)CC(=O)[O-]
InChIInChI=1S/C16H25NO3/c1-12(2)15(13-9-7-6-8-10-13)17(20-5)16(3,4)11-14(18)19/h6-10,12,15H,11H2,1-5H3,(H,18,19)/p-1
InChIKeyLIDYZZPHOPBJHM-UHFFFAOYSA-M
XLogP2.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 132607463
CID 132607463
N-tert-butyl-N-(2-methyl-1-phenylpropyl)acetamide
CID 58983683
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 65061275
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 20583634
4-[1-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxyethyl]phenol
CID 87840436
3-[ethyl-(2-methyl-1-phenylpropyl)amino]-2-methylpropanoic acid
CID 65061408
N-tert-butyl-N-(2-methyl-1-phenylpropyl)hydroxylamine;methane
CID 158212954
methyl 3-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-2-methyl-2-(2-phenylpropyl)hexanoate
CID 121447581
tert-butyl 4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-2-ethyl-4-phenylbutanoate
CID 59132546
butyl 2-[(1-hydroxy-2-methylpropan-2-yl)-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylpentanoate
CID 140958039
(3S)-3-phenylbutanoate
CID 6950118
3-[tert-butyl(1-phenylethoxy)amino]-3-methylbutanoic acid
CID 141349315

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate?
The IUPAC name of 3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate (CID 140706005) is 3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate.
What is the SMILES notation for 3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate?
The canonical SMILES for 3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate is CON(C(c1ccccc1)C(C)C)C(C)(C)CC(=O)[O-].
What is the InChIKey of 3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate?
The InChIKey is LIDYZZPHOPBJHM-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H25NO3/c1-12(2)15(13-9-7-6-8-10-13)17(20-5)16(3,4)11-14(18)19/h6-10,12,15H,11H2,1-5H3,(H,18,19)/p-1.
What are the key properties of 3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate?
3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate has a molecular weight of 278.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy-(2-methyl-1-phenylpropyl)amino]-3-methylbutanoate is sourced from PubChem (CID 140706005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).