2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine

C26H31NO5 — CID 66992280

IUPAC2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine
SMILESCCC(Oc1ccc(CO)c(OC)c1)C(=O)O.CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N.C12H16O5/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-10(12(14)15)17-9-5-4-8(7-13)11(6-9)16-2/h2-11,14-15H,1H3;4-6,10,13H,3,7H2,1-2H3,(H,14,15)
InChIKeyZZZNWUXJAHWCGF-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.42
Rot. Bonds9

About 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine

2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine (PubChem CID 66992280) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine
PubChem CID66992280
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine
SMILESCCC(Oc1ccc(CO)c(OC)c1)C(=O)O.CNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N.C12H16O5/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-10(12(14)15)17-9-5-4-8(7-13)11(6-9)16-2/h2-11,14-15H,1H3;4-6,10,13H,3,7H2,1-2H3,(H,14,15)
InChIKeyZZZNWUXJAHWCGF-UHFFFAOYSA-N
XLogP4.42
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid
CID 1268135
2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide
CID 175850225
(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243628
(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
CID 92677784
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963
2-(2,4-dimethoxyphenyl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 9464338
(2S)-2-(2-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545306
[4-(hydroxymethyl)-3-methoxyphenyl] acetate
CID 57125799
3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133241119
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]butanoic acid
CID 113438827
2-(4-methoxyphenoxy)-N-(1-phenylethyl)butanamide
CID 21173396

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine?
The IUPAC name of 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine (CID 66992280) is 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine.
What is the SMILES notation for 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine?
The canonical SMILES for 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine is CCC(Oc1ccc(CO)c(OC)c1)C(=O)O.CNC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine?
The InChIKey is ZZZNWUXJAHWCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C12H16O5/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-10(12(14)15)17-9-5-4-8(7-13)11(6-9)16-2/h2-11,14-15H,1H3;4-6,10,13H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine?
2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine has a molecular weight of 437.54 g/mol, XLogP of 4.42, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine is sourced from PubChem (CID 66992280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).