2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide

C12H18N2O4 — CID 107744699

IUPAC2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide
SMILESCOc1cc(CO)ccc1OCCC(N)C(N)=O
InChIInChI=1S/C12H18N2O4/c1-17-11-6-8(7-15)2-3-10(11)18-5-4-9(13)12(14)16/h2-3,6,9,15H,4-5,7,13H2,1H3,(H2,14,16)
InChIKeyAJLNEFYAFVXTHY-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.23
Rot. Bonds7

About 2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide

2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide (PubChem CID 107744699) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide.

Molecular Properties

Compound Name2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide
PubChem CID107744699
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide
SMILESCOc1cc(CO)ccc1OCCC(N)C(N)=O
InChIInChI=1S/C12H18N2O4/c1-17-11-6-8(7-15)2-3-10(11)18-5-4-9(13)12(14)16/h2-3,6,9,15H,4-5,7,13H2,1H3,(H2,14,16)
InChIKeyAJLNEFYAFVXTHY-UHFFFAOYSA-N
XLogP-0.23
TPSA107.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
2-ethoxy-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanoic acid
CID 107744915
5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide
CID 114281672
N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide
CID 107743240
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-4-methoxybutanamide
CID 62473722
methyl 2-amino-3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propanoate
CID 170884561
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate
CID 107742324
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
CID 61484214
5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2,2-dimethylpentanethioamide
CID 107743132
4-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-(propan-2-ylamino)butanenitrile
CID 107744385

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide?
The IUPAC name of 2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide (CID 107744699) is 2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide.
What is the SMILES notation for 2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide?
The canonical SMILES for 2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide is COc1cc(CO)ccc1OCCC(N)C(N)=O.
What is the InChIKey of 2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide?
The InChIKey is AJLNEFYAFVXTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-11-6-8(7-15)2-3-10(11)18-5-4-9(13)12(14)16/h2-3,6,9,15H,4-5,7,13H2,1H3,(H2,14,16).
What are the key properties of 2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide?
2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide has a molecular weight of 254.29 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(hydroxymethyl)-2-methoxyphenoxy]butanamide is sourced from PubChem (CID 107744699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).