2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid

C18H19NO6 — CID 91433823

IUPAC2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid
SMILESCOC(=O)CNc1ccc(OCC(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C18H19NO6/c1-23-18(22)10-19-15-8-7-14(24-12-17(20)21)9-16(15)25-11-13-5-3-2-4-6-13/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyXTPXBUIPBWHZRY-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.31
Rot. Bonds9

About 2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid

2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid (PubChem CID 91433823) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid
PubChem CID91433823
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid
SMILESCOC(=O)CNc1ccc(OCC(=O)O)cc1OCc1ccccc1
InChIInChI=1S/C18H19NO6/c1-23-18(22)10-19-15-8-7-14(24-12-17(20)21)9-16(15)25-11-13-5-3-2-4-6-13/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyXTPXBUIPBWHZRY-UHFFFAOYSA-N
XLogP2.31
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-O-[3,4-bis(phenylmethoxy)phenyl] 1-O-methyl propanedioate
CID 56957808
2-(2-cyano-5-phenylmethoxyphenoxy)acetic acid
CID 70080910
2-[6-[(2-phenylmethoxybenzoyl)amino]naphthalen-2-yl]oxyacetic acid
CID 10137340
methyl 2-[4-[(2-anilino-2-oxoethyl)amino]-3-methylphenoxy]acetate
CID 60538614
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
2-(3,4-dimethylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093514
N-[(4-methoxyphenyl)methyl]-2-(2-phenylmethoxyanilino)acetamide
CID 54827829
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
3-[2,5-bis(phenylmethoxy)phenyl]-3-oxopropanoic acid
CID 170887038
N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyaniline
CID 54801511

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid (CID 91433823) is 2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid is COC(=O)CNc1ccc(OCC(=O)O)cc1OCc1ccccc1.
What is the InChIKey of 2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid?
The InChIKey is XTPXBUIPBWHZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-23-18(22)10-19-15-8-7-14(24-12-17(20)21)9-16(15)25-11-13-5-3-2-4-6-13/h2-9,19H,10-12H2,1H3,(H,20,21).
What are the key properties of 2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid?
2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid has a molecular weight of 345.35 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxy-2-oxoethyl)amino]-3-phenylmethoxyphenoxy]acetic acid is sourced from PubChem (CID 91433823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).