4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide

C14H22N2O2 — CID 81087863

IUPAC4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide
SMILESCC(CN)CC(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C14H22N2O2/c1-10(9-15)8-14(18)16(3)11(2)12-6-4-5-7-13(12)17/h4-7,10-11,17H,8-9,15H2,1-3H3
InChIKeyDEKAANJBMOFPBK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.90
Rot. Bonds5

About 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide

4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide (PubChem CID 81087863) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide
PubChem CID81087863
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide
SMILESCC(CN)CC(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C14H22N2O2/c1-10(9-15)8-14(18)16(3)11(2)12-6-4-5-7-13(12)17/h4-7,10-11,17H,8-9,15H2,1-3H3
InChIKeyDEKAANJBMOFPBK-UHFFFAOYSA-N
XLogP1.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
CID 81087355
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 54916026
6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide
CID 65292237
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 61043693
3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide
CID 62590459
4-amino-N,3-dimethyl-N-phenylbutanamide
CID 81071544
(2S)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbutanamide
CID 79024859
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-phenylacetamide
CID 60953156
5-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,2-dimethylpentanamide
CID 104684604
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(thian-4-yl)acetamide
CID 82707409
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 54913397
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide?
The IUPAC name of 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide (CID 81087863) is 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide?
The canonical SMILES for 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide is CC(CN)CC(=O)N(C)C(C)c1ccccc1O.
What is the InChIKey of 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide?
The InChIKey is DEKAANJBMOFPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(9-15)8-14(18)16(3)11(2)12-6-4-5-7-13(12)17/h4-7,10-11,17H,8-9,15H2,1-3H3.
What are the key properties of 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide?
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 81087863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).