3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide

C12H18N2O2 — CID 60837485

IUPAC3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
SMILESCC(N)CC(=O)NC(C)c1cccc(O)c1
InChIInChI=1S/C12H18N2O2/c1-8(13)6-12(16)14-9(2)10-4-3-5-11(15)7-10/h3-5,7-9,15H,6,13H2,1-2H3,(H,14,16)
InChIKeyKHNLVWXGTGLEKD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds4

About 3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide

3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide (PubChem CID 60837485) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
PubChem CID60837485
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
SMILESCC(N)CC(=O)NC(C)c1cccc(O)c1
InChIInChI=1S/C12H18N2O2/c1-8(13)6-12(16)14-9(2)10-4-3-5-11(15)7-10/h3-5,7-9,15H,6,13H2,1-2H3,(H,14,16)
InChIKeyKHNLVWXGTGLEKD-UHFFFAOYSA-N
XLogP1.31
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112688965
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 79025425
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119771237
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61153949
2-(butan-2-ylamino)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 54925343
2-(2-aminoethoxy)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 79473809
N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide
CID 95282952
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
(2R)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 113353325

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide (CID 60837485) is 3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide is CC(N)CC(=O)NC(C)c1cccc(O)c1.
What is the InChIKey of 3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide?
The InChIKey is KHNLVWXGTGLEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(13)6-12(16)14-9(2)10-4-3-5-11(15)7-10/h3-5,7-9,15H,6,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide?
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide is sourced from PubChem (CID 60837485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).