methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate

C17H27NO3 — CID 82351588

IUPACmethyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate
SMILESCCCc1ccc(CC(CC(=O)OC)NCCOC)cc1
InChIInChI=1S/C17H27NO3/c1-4-5-14-6-8-15(9-7-14)12-16(13-17(19)21-3)18-10-11-20-2/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyLJRFEXNSYGJGJY-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.35
Rot. Bonds10

About methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate

methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate (PubChem CID 82351588) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate
PubChem CID82351588
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate
SMILESCCCc1ccc(CC(CC(=O)OC)NCCOC)cc1
InChIInChI=1S/C17H27NO3/c1-4-5-14-6-8-15(9-7-14)12-16(13-17(19)21-3)18-10-11-20-2/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyLJRFEXNSYGJGJY-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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 4-(4-chlorophenyl)-3-(pentylamino)butanoate
CID 82351293
methyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-phenylbutanoate
CID 82351193
methyl 4-(3,4-dimethoxyphenyl)-3-(propylamino)butanoate
CID 82351427
4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid
CID 82350789
methyl 4-(2,4-dimethylphenyl)-3-(2-methoxyethylamino)butanoate
CID 82351345
ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate
CID 82351699
methyl 3-(ethylamino)-4-oxo-4-(4-propylphenyl)butanoate
CID 82349363
methyl 4-(3,4-dimethoxyphenyl)-3-(ethylamino)butanoate
CID 82351429
methyl 3-amino-4-hydroxy-4-(4-propylphenyl)butanoate
CID 82349375
methyl 4-(4-fluoro-3-methylphenyl)-3-(pentylamino)butanoate
CID 82351496
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate
CID 82351703

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate?
The IUPAC name of methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate (CID 82351588) is methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate.
What is the SMILES notation for methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate?
The canonical SMILES for methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate is CCCc1ccc(CC(CC(=O)OC)NCCOC)cc1.
What is the InChIKey of methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate?
The InChIKey is LJRFEXNSYGJGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-5-14-6-8-15(9-7-14)12-16(13-17(19)21-3)18-10-11-20-2/h6-9,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate?
methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate has a molecular weight of 293.41 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate is sourced from PubChem (CID 82351588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).