3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide

C12H18N2O2 — CID 60963572

IUPAC3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c1-9(13)7-12(16)14(2)8-10-3-5-11(15)6-4-10/h3-6,9,15H,7-8,13H2,1-2H3
InChIKeyCDAHPBABAJWDBG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.09
Rot. Bonds4

About 3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide

3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide (PubChem CID 60963572) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide
PubChem CID60963572
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c1-9(13)7-12(16)14(2)8-10-3-5-11(15)6-4-10/h3-6,9,15H,7-8,13H2,1-2H3
InChIKeyCDAHPBABAJWDBG-UHFFFAOYSA-N
XLogP1.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
N-[(4-hydroxyphenyl)methyl]-N,3,4,4-tetramethylpentanamide
CID 63821456
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 61146195
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 78973192
3-amino-N-[(4-chloro-3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120873782
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54873511
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 120873575
4-amino-1-(4-hydroxyphenyl)pentan-2-one
CID 116555956
3,3,3-trifluoro-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 54893745
3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N-methylbutanamide
CID 115154285
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115181103

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide (CID 60963572) is 3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide is CC(N)CC(=O)N(C)Cc1ccc(O)cc1.
What is the InChIKey of 3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide?
The InChIKey is CDAHPBABAJWDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(13)7-12(16)14(2)8-10-3-5-11(15)6-4-10/h3-6,9,15H,7-8,13H2,1-2H3.
What are the key properties of 3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide?
3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 60963572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).