4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide

C13H20N2O3 — CID 107093408

IUPAC4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCc1cccc(CO)c1
InChIInChI=1S/C13H20N2O3/c1-18-12(7-14)6-13(17)15-8-10-3-2-4-11(5-10)9-16/h2-5,12,16H,6-9,14H2,1H3,(H,15,17)
InChIKeyFAUKFXHEBOBKER-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.16
Rot. Bonds7

About 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide

4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide (PubChem CID 107093408) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
PubChem CID107093408
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCc1cccc(CO)c1
InChIInChI=1S/C13H20N2O3/c1-18-12(7-14)6-13(17)15-8-10-3-2-4-11(5-10)9-16/h2-5,12,16H,6-9,14H2,1H3,(H,15,17)
InChIKeyFAUKFXHEBOBKER-UHFFFAOYSA-N
XLogP0.16
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 103823770
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride
CID 120595243
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107216595
4-amino-N-[(4-bromo-3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120590647
4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
CID 120588235
4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride
CID 120588846
4-amino-N-(furan-2-ylmethyl)-3-methoxybutanamide
CID 103154043
3-[[(4-amino-3-methoxybutanoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 120590388
2-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 107218396

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide (CID 107093408) is 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide is COC(CN)CC(=O)NCc1cccc(CO)c1.
What is the InChIKey of 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide?
The InChIKey is FAUKFXHEBOBKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-12(7-14)6-13(17)15-8-10-3-2-4-11(5-10)9-16/h2-5,12,16H,6-9,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide?
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide has a molecular weight of 252.31 g/mol, XLogP of 0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide is sourced from PubChem (CID 107093408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).