2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid

C19H29NO4 — CID 46984302

IUPAC2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
SMILESCCN(CC1CCOCC1)C(C(=O)O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C19H29NO4/c1-5-20(12-15-6-8-24-9-7-15)17(19(21)22)16-10-13(2)18(23-4)14(3)11-16/h10-11,15,17H,5-9,12H2,1-4H3,(H,21,22)
InChIKeyRGAOWCZFOLIEOR-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.19
Rot. Bonds7

About 2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid

2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid (PubChem CID 46984302) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
PubChem CID46984302
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
SMILESCCN(CC1CCOCC1)C(C(=O)O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C19H29NO4/c1-5-20(12-15-6-8-24-9-7-15)17(19(21)22)16-10-13(2)18(23-4)14(3)11-16/h10-11,15,17H,5-9,12H2,1-4H3,(H,21,22)
InChIKeyRGAOWCZFOLIEOR-UHFFFAOYSA-N
XLogP3.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[cyclobutylmethyl(ethyl)amino]-2-phenylacetate
CID 107399619
2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid
CID 46998255
2-(dimethylamino)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 116914802
2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid
CID 54919956
(2R)-2-(1-benzofuran-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]acetic acid
CID 97211083
3-[ethyl(oxan-4-ylmethyl)amino]propanoic acid
CID 62386265
2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid
CID 82480271
3-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]oxolane
CID 83068660
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-2-phenylacetic acid
CID 136550180
methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate
CID 107399553
2-[cyclobutylmethyl(ethyl)amino]butanoic acid
CID 107399547

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid (CID 46984302) is 2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid is CCN(CC1CCOCC1)C(C(=O)O)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid?
The InChIKey is RGAOWCZFOLIEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-5-20(12-15-6-8-24-9-7-15)17(19(21)22)16-10-13(2)18(23-4)14(3)11-16/h10-11,15,17H,5-9,12H2,1-4H3,(H,21,22).
What are the key properties of 2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid?
2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid has a molecular weight of 335.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 46984302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).