2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid

C25H25NO7 — CID 175227608

IUPAC2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid
SMILESCOc1ccc(COc2ccc(C(=O)NCC(=O)O)cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H25NO7/c1-30-20-8-3-17(4-9-20)15-32-22-12-7-19(25(29)26-14-24(27)28)13-23(22)33-16-18-5-10-21(31-2)11-6-18/h3-13H,14-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyLTSULBBOKXTFLC-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.68
Rot. Bonds11

About 2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid

2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid (PubChem CID 175227608) has the molecular formula C25H25NO7 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid
PubChem CID175227608
Molecular FormulaC25H25NO7
Molecular Weight451.48 g/mol
Exact Mass451.16
IUPAC Name2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid
SMILESCOc1ccc(COc2ccc(C(=O)NCC(=O)O)cc2OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H25NO7/c1-30-20-8-3-17(4-9-20)15-32-22-12-7-19(25(29)26-14-24(27)28)13-23(22)33-16-18-5-10-21(31-2)11-6-18/h3-13H,14-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyLTSULBBOKXTFLC-UHFFFAOYSA-N
XLogP3.68
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
3,4-diethoxy-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 18206885
2-[(6-methoxy-3-phenylmethoxyquinoline-2-carbonyl)amino]acetic acid
CID 19692181
(4-methoxyphenyl)methyl N-[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxybenzoyl]carbamate
CID 57050965
(4-methoxyphenyl)methyl N-[3-[[4-(aminomethyl)phenyl]methoxy]-4-methoxybenzoyl]carbamate
CID 57151569
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 134307216
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321

Frequently Asked Questions

What is the IUPAC name of 2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid (CID 175227608) is 2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid is COc1ccc(COc2ccc(C(=O)NCC(=O)O)cc2OCc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid?
The InChIKey is LTSULBBOKXTFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO7/c1-30-20-8-3-17(4-9-20)15-32-22-12-7-19(25(29)26-14-24(27)28)13-23(22)33-16-18-5-10-21(31-2)11-6-18/h3-13H,14-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid?
2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid has a molecular weight of 451.48 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]acetic acid is sourced from PubChem (CID 175227608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).