2-[(3-propoxyphenyl)methylamino]ethyl propanoate

C15H23NO3 — CID 82532842

IUPAC2-[(3-propoxyphenyl)methylamino]ethyl propanoate
SMILESCCCOc1cccc(CNCCOC(=O)CC)c1
InChIInChI=1S/C15H23NO3/c1-3-9-18-14-7-5-6-13(11-14)12-16-8-10-19-15(17)4-2/h5-7,11,16H,3-4,8-10,12H2,1-2H3
InChIKeyUPHDRCKOCZIBBU-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.52
Rot. Bonds9

About 2-[(3-propoxyphenyl)methylamino]ethyl propanoate

2-[(3-propoxyphenyl)methylamino]ethyl propanoate (PubChem CID 82532842) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(3-propoxyphenyl)methylamino]ethyl propanoate.

Molecular Properties

Compound Name2-[(3-propoxyphenyl)methylamino]ethyl propanoate
PubChem CID82532842
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(3-propoxyphenyl)methylamino]ethyl propanoate
SMILESCCCOc1cccc(CNCCOC(=O)CC)c1
InChIInChI=1S/C15H23NO3/c1-3-9-18-14-7-5-6-13(11-14)12-16-8-10-19-15(17)4-2/h5-7,11,16H,3-4,8-10,12H2,1-2H3
InChIKeyUPHDRCKOCZIBBU-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.52
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 3-[(3-propoxyphenyl)methylamino]propanoate
CID 54901654
ethyl 2-[(3-propoxyphenyl)methylamino]acetate
CID 54901935
N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide
CID 54893746
2-(benzylamino)ethyl propanoate
CID 10988499
methyl 3-[3-(propylaminomethyl)phenoxy]propanoate
CID 63949501
2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate
CID 82533040
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
4-methylsulfanyl-N-[(3-propoxyphenyl)methyl]butan-1-amine
CID 115639219
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propoxyphenyl)methylamino]ethyl propanoate?
The IUPAC name of 2-[(3-propoxyphenyl)methylamino]ethyl propanoate (CID 82532842) is 2-[(3-propoxyphenyl)methylamino]ethyl propanoate.
What is the SMILES notation for 2-[(3-propoxyphenyl)methylamino]ethyl propanoate?
The canonical SMILES for 2-[(3-propoxyphenyl)methylamino]ethyl propanoate is CCCOc1cccc(CNCCOC(=O)CC)c1.
What is the InChIKey of 2-[(3-propoxyphenyl)methylamino]ethyl propanoate?
The InChIKey is UPHDRCKOCZIBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-9-18-14-7-5-6-13(11-14)12-16-8-10-19-15(17)4-2/h5-7,11,16H,3-4,8-10,12H2,1-2H3.
What are the key properties of 2-[(3-propoxyphenyl)methylamino]ethyl propanoate?
2-[(3-propoxyphenyl)methylamino]ethyl propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propoxyphenyl)methylamino]ethyl propanoate is sourced from PubChem (CID 82532842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).