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

C13H20N2O2 — CID 82312252

IUPACN-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNCC(O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-10-3-5-12(6-4-10)13(17)9-14-7-8-15-11(2)16/h3-6,13-14,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyJHMJWAIEWKJNPR-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.75
Rot. Bonds6

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

N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide (PubChem CID 82312252) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
PubChem CID82312252
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
SMILESCC(=O)NCCNCC(O)c1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-10-3-5-12(6-4-10)13(17)9-14-7-8-15-11(2)16/h3-6,13-14,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyJHMJWAIEWKJNPR-UHFFFAOYSA-N
XLogP0.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide
CID 82312288
N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82313978
N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314995
N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314341
N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 82312079
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 82312246
(1R)-2-(ethylamino)-1-(4-methylphenyl)ethanol
CID 39237107
N-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 28684626
(Z)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide
CID 110025845
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide
CID 112827264
2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol
CID 82312260

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide (CID 82312252) is N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide is CC(=O)NCCNCC(O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide?
The InChIKey is JHMJWAIEWKJNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-3-5-12(6-4-10)13(17)9-14-7-8-15-11(2)16/h3-6,13-14,17H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide?
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide is sourced from PubChem (CID 82312252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).