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

C12H18N2O2 — CID 114332207

IUPAC4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c1-9(7-13)6-12(16)14-8-10-2-4-11(15)5-3-10/h2-5,9,15H,6-8,13H2,1H3,(H,14,16)
InChIKeyBFKMSXQEJAFIBO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.99
Rot. Bonds5

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

4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide (PubChem CID 114332207) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
PubChem CID114332207
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H18N2O2/c1-9(7-13)6-12(16)14-8-10-2-4-11(15)5-3-10/h2-5,9,15H,6-8,13H2,1H3,(H,14,16)
InChIKeyBFKMSXQEJAFIBO-UHFFFAOYSA-N
XLogP0.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide
CID 115156367
N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide
CID 60917827
4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide
CID 114332833
4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
CID 81079151
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-hydroxyphenyl)acetamide
CID 81090221
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide
CID 107231413
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
CID 115156392
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 81080753
3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 11779448
2-[(2-aminoacetyl)amino]-N-[2-[[4-[(4-hydroxyphenyl)methylamino]-4-oxobutan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 142937504
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide (CID 114332207) is 4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide is CC(CN)CC(=O)NCc1ccc(O)cc1.
What is the InChIKey of 4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide?
The InChIKey is BFKMSXQEJAFIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(7-13)6-12(16)14-8-10-2-4-11(15)5-3-10/h2-5,9,15H,6-8,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide?
4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 114332207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).