2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide

C16H24N2O2 — CID 111489932

IUPAC2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CC)CC(O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O2/c1-4-10-17-16(20)12-18(5-2)11-15(19)14-8-6-13(3)7-9-14/h4,6-9,15,19H,1,5,10-12H2,2-3H3,(H,17,20)
InChIKeyHZRWTMWFKXVEOF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.65
Rot. Bonds8

About 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide

2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide (PubChem CID 111489932) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide
PubChem CID111489932
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CC)CC(O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O2/c1-4-10-17-16(20)12-18(5-2)11-15(19)14-8-6-13(3)7-9-14/h4,6-9,15,19H,1,5,10-12H2,2-3H3,(H,17,20)
InChIKeyHZRWTMWFKXVEOF-UHFFFAOYSA-N
XLogP1.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 111487300
2-[[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide
CID 95310128
2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide
CID 95310127
N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111490028
N-(1-cyano-1-cyclopropylethyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111489945
N-ethyl-2-[ethyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetamide
CID 78795286
N-(2-chloro-3-pyridinyl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111497113
N-(3-cyanothiophen-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111497107
2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide
CID 110880161
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide
CID 30170794
2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
CID 43504554
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide (CID 111489932) is 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(CC)CC(O)c1ccc(C)cc1.
What is the InChIKey of 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide?
The InChIKey is HZRWTMWFKXVEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-10-17-16(20)12-18(5-2)11-15(19)14-8-6-13(3)7-9-14/h4,6-9,15,19H,1,5,10-12H2,2-3H3,(H,17,20).
What are the key properties of 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide?
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 111489932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).