methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate

C17H27NO3 — CID 116694335

IUPACmethyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
SMILESCCCCCOCCC(NC)(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-4-5-9-13-21-14-12-17(18-2,16(19)20-3)15-10-7-6-8-11-15/h6-8,10-11,18H,4-5,9,12-14H2,1-3H3
InChIKeyWEFJKTDZFCEJOD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.87
Rot. Bonds10

About methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate

methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate (PubChem CID 116694335) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
PubChem CID116694335
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate
SMILESCCCCCOCCC(NC)(C(=O)OC)c1ccccc1
InChIInChI=1S/C17H27NO3/c1-4-5-9-13-21-14-12-17(18-2,16(19)20-3)15-10-7-6-8-11-15/h6-8,10-11,18H,4-5,9,12-14H2,1-3H3
InChIKeyWEFJKTDZFCEJOD-UHFFFAOYSA-N
XLogP2.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate
CID 102984075
2-(methylamino)-4-(4-methylpentoxy)-2-phenylbutanoic acid
CID 116694125
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
methyl 2-(methylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanoate
CID 116694411
methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
CID 106204595
2-(methylamino)-2-phenyl-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 116694249
benzoic acid;1-pentoxypentane
CID 70815519
3-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylpropanoic acid
CID 66224522
methyl 2-(methylamino)-3-(2-methylpentoxy)-2-phenylpropanoate
CID 103284850
methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate
CID 66321617
ethyl 2-(methylamino)-2-phenyl-4-propan-2-yloxybutanoate
CID 116694178
methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate
CID 116694272

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate?
The IUPAC name of methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate (CID 116694335) is methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate.
What is the SMILES notation for methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate?
The canonical SMILES for methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate is CCCCCOCCC(NC)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate?
The InChIKey is WEFJKTDZFCEJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-5-9-13-21-14-12-17(18-2,16(19)20-3)15-10-7-6-8-11-15/h6-8,10-11,18H,4-5,9,12-14H2,1-3H3.
What are the key properties of methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate?
methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate has a molecular weight of 293.41 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-4-pentoxy-2-phenylbutanoate is sourced from PubChem (CID 116694335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).