methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate

C19H29NO4 — CID 10640542

IUPACmethyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate
SMILESCOC(=O)C(CNC(C)C)C(OC1CCCCO1)c1ccccc1
InChIInChI=1S/C19H29NO4/c1-14(2)20-13-16(19(21)22-3)18(15-9-5-4-6-10-15)24-17-11-7-8-12-23-17/h4-6,9-10,14,16-18,20H,7-8,11-13H2,1-3H3
InChIKeySRDBRFSMWWDYSB-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.06
Rot. Bonds8

About methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate

methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate (PubChem CID 10640542) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate.

Molecular Properties

Compound Namemethyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate
PubChem CID10640542
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Namemethyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate
SMILESCOC(=O)C(CNC(C)C)C(OC1CCCCO1)c1ccccc1
InChIInChI=1S/C19H29NO4/c1-14(2)20-13-16(19(21)22-3)18(15-9-5-4-6-10-15)24-17-11-7-8-12-23-17/h4-6,9-10,14,16-18,20H,7-8,11-13H2,1-3H3
InChIKeySRDBRFSMWWDYSB-UHFFFAOYSA-N
XLogP3.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-(oxan-2-yloxy)-3-phenylpropanoate
CID 14804719
(1R,2R)-2-(oxan-2-yloxy)-1,2-diphenylethanol
CID 71209539
methyl (5R)-5-(oxan-2-yloxy)-5-phenylpentanoate
CID 135016792
S-ethyl (2S)-2-(oxan-2-yloxy)-2-phenylethanethioate
CID 135077940
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
benzyl (2S,3S)-2-amino-2-methyl-3-(oxan-2-yloxy)-3-phenylpropanoate
CID 10499333
methyl 2-[[(2R)-2-(oxan-2-yloxy)-3-phenylpropyl]-[(1R)-1-phenylethyl]amino]acetate
CID 68826511
benzyl-[(2R,3R)-1-hydroxy-3-(oxan-2-yloxy)butan-2-yl]carbamic acid
CID 118237094
methyl (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methyl-3-(oxan-2-yloxy)pentanoate
CID 100984372
benzyl 6-methyl-3-(oxan-2-yloxy)heptanoate
CID 10568752
4-(2,5-difluorophenyl)-4-(oxan-2-yloxy)-3-phenylbutan-2-one
CID 68869589

Frequently Asked Questions

What is the IUPAC name of methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate?
The IUPAC name of methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate (CID 10640542) is methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate.
What is the SMILES notation for methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate?
The canonical SMILES for methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate is COC(=O)C(CNC(C)C)C(OC1CCCCO1)c1ccccc1.
What is the InChIKey of methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate?
The InChIKey is SRDBRFSMWWDYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-14(2)20-13-16(19(21)22-3)18(15-9-5-4-6-10-15)24-17-11-7-8-12-23-17/h4-6,9-10,14,16-18,20H,7-8,11-13H2,1-3H3.
What are the key properties of methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate?
methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate has a molecular weight of 335.44 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxan-2-yloxy)-3-phenyl-2-[(propan-2-ylamino)methyl]propanoate is sourced from PubChem (CID 10640542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).