2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide

C14H22N2O2 — CID 82985774

IUPAC2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)C(C)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-4-8-16(10-14(18)15-3)11(2)12-6-5-7-13(17)9-12/h5-7,9,11,17H,4,8,10H2,1-3H3,(H,15,18)
InChIKeyLRDSQRNDHIGTEK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.91
Rot. Bonds6

About 2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide

2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide (PubChem CID 82985774) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide
PubChem CID82985774
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)C(C)c1cccc(O)c1
InChIInChI=1S/C14H22N2O2/c1-4-8-16(10-14(18)15-3)11(2)12-6-5-7-13(17)9-12/h5-7,9,11,17H,4,8,10H2,1-3H3,(H,15,18)
InChIKeyLRDSQRNDHIGTEK-UHFFFAOYSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-aminophenyl)ethyl-propylamino]-N-methylacetamide
CID 54984241
2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide
CID 55017743
N-(2-benzoylphenyl)-2-[[(1S)-1-phenylethyl]-propylamino]acetamide
CID 102142549
methylcarbamic acid;3-pentan-2-ylphenol
CID 174607568
3-[1-(3-hydroxyphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
CID 106918846
methyl 5-[1-[[2-(methylamino)-2-oxoethyl]-propylamino]ethyl]furan-2-carboxylate
CID 79090923
N-(2,6-diethylphenyl)-2-[[(1S)-1-(3-hydroxyphenyl)ethyl]-methylamino]acetamide
CID 95303333
3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
CID 103734415
3-[(1S)-1-[2-(tert-butylamino)ethyl-ethylamino]ethyl]phenol
CID 58313590
N-methyl-2-[(1-oxo-1-phenylbutan-2-yl)-propylamino]acetamide
CID 62035767
3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
CID 106511324
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide (CID 82985774) is 2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)C(C)c1cccc(O)c1.
What is the InChIKey of 2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide?
The InChIKey is LRDSQRNDHIGTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-8-16(10-14(18)15-3)11(2)12-6-5-7-13(17)9-12/h5-7,9,11,17H,4,8,10H2,1-3H3,(H,15,18).
What are the key properties of 2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide?
2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-hydroxyphenyl)ethyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 82985774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).