(2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate

C20H25NO4 — CID 57296418

IUPAC(2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate
SMILESCOc1cccc(OC)c1OC(=O)C(C)N(C)CCc1ccccc1
InChIInChI=1S/C20H25NO4/c1-15(21(2)14-13-16-9-6-5-7-10-16)20(22)25-19-17(23-3)11-8-12-18(19)24-4/h5-12,15H,13-14H2,1-4H3
InChIKeyDHAVDCJOKDGNDU-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.17
Rot. Bonds8

About (2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate

(2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate (PubChem CID 57296418) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate
PubChem CID57296418
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name(2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate
SMILESCOc1cccc(OC)c1OC(=O)C(C)N(C)CCc1ccccc1
InChIInChI=1S/C20H25NO4/c1-15(21(2)14-13-16-9-6-5-7-10-16)20(22)25-19-17(23-3)11-8-12-18(19)24-4/h5-12,15H,13-14H2,1-4H3
InChIKeyDHAVDCJOKDGNDU-UHFFFAOYSA-N
XLogP3.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-one
CID 65487247
3-(2,6-dimethoxyphenyl)-2-[methyl(2-phenylethyl)amino]propanoic acid
CID 90704143
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
(2,6-dimethoxyphenyl) 2-(diethylamino)propanoate;hydrochloride
CID 74069880
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate
CID 79414965
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913768
N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide
CID 156522412
1-N,7-N-bis[2-(2,3-dimethoxyphenyl)ethyl]-1-N,4-N,7-N,3-tetramethyl-4-N-(2-phenylethyl)heptane-1,4,7-triamine
CID 173253979
(2,6-dimethoxyphenyl) (2R)-2-[bis(2-methoxyethyl)amino]-3-methylbutanoate
CID 101146490
2-(2-methoxy-5-methylphenyl)-2-[methyl(2-phenylethyl)amino]acetic acid
CID 50973820
2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042024

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate?
The IUPAC name of (2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate (CID 57296418) is (2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate.
What is the SMILES notation for (2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate?
The canonical SMILES for (2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate is COc1cccc(OC)c1OC(=O)C(C)N(C)CCc1ccccc1.
What is the InChIKey of (2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate?
The InChIKey is DHAVDCJOKDGNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-15(21(2)14-13-16-9-6-5-7-10-16)20(22)25-19-17(23-3)11-8-12-18(19)24-4/h5-12,15H,13-14H2,1-4H3.
What are the key properties of (2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate?
(2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate has a molecular weight of 343.42 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate is sourced from PubChem (CID 57296418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).