methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate

C23H27NO5 — CID 110082576

IUPACmethyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCOCC1
InChIInChI=1S/C23H27NO5/c1-27-20-6-4-3-5-19(20)18-9-7-17(8-10-18)15-23(11-13-29-14-12-23)22(26)24-16-21(25)28-2/h3-10H,11-16H2,1-2H3,(H,24,26)
InChIKeyJYDNFNDZPYDRAK-UHFFFAOYSA-N
MW397.47 g/mol
LogP2.99
Rot. Bonds7

About methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate

methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate (PubChem CID 110082576) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate
PubChem CID110082576
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Namemethyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCOCC1
InChIInChI=1S/C23H27NO5/c1-27-20-6-4-3-5-19(20)18-9-7-17(8-10-18)15-23(11-13-29-14-12-23)22(26)24-16-21(25)28-2/h3-10H,11-16H2,1-2H3,(H,24,26)
InChIKeyJYDNFNDZPYDRAK-UHFFFAOYSA-N
XLogP2.99
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate with MolForge

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Related Compounds

4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide
CID 110082574
N-[(2S)-1-hydroxypropan-2-yl]-4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124987428
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 155982714
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide
CID 129455548
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(3S)-oxan-3-yl]oxane-4-carboxamide
CID 129458009
N-(1,1-dioxothiolan-3-yl)-4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 132779272
N-(2-methoxyethyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 95805201
N-(2-acetamidoethyl)-4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 155983023
N-[3-(dimethylamino)propyl]-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110087861
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2R)-2-hydroxypropyl]oxane-4-carboxamide
CID 124974448
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(2S)-2-hydroxypropyl]oxane-4-carboxamide
CID 124974447
N-butan-2-yl-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082331

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate (CID 110082576) is methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate is COC(=O)CNC(=O)C1(Cc2ccc(-c3ccccc3OC)cc2)CCOCC1.
What is the InChIKey of methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate?
The InChIKey is JYDNFNDZPYDRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-27-20-6-4-3-5-19(20)18-9-7-17(8-10-18)15-23(11-13-29-14-12-23)22(26)24-16-21(25)28-2/h3-10H,11-16H2,1-2H3,(H,24,26).
What are the key properties of methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate?
methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate has a molecular weight of 397.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate is sourced from PubChem (CID 110082576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).