N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide

C13H20N2O2 — CID 82312079

IUPACN-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
SMILESCC(=O)NCCCNCC(O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(16)15-9-5-8-14-10-13(17)12-6-3-2-4-7-12/h2-4,6-7,13-14,17H,5,8-10H2,1H3,(H,15,16)
InChIKeyQJTOXZZMZGTFKK-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.84
Rot. Bonds7

About N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide

N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide (PubChem CID 82312079) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
PubChem CID82312079
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
SMILESCC(=O)NCCCNCC(O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-11(16)15-9-5-8-14-10-13(17)12-6-3-2-4-7-12/h2-4,6-7,13-14,17H,5,8-10H2,1H3,(H,15,16)
InChIKeyQJTOXZZMZGTFKK-UHFFFAOYSA-N
XLogP0.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.84
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-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 82312252
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
(1S)-2-(3-methylsulfonylpropylamino)-1-phenylethanol
CID 93451131
4-[2-[12-[(2-hydroxy-2-phenylethyl)amino]dodecyl]phenyl]butanoic acid
CID 23352610
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
S-(2-acetamidoethyl) (3S)-3-hydroxy-3-phenylpropanethioate
CID 10967487
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
2-(3-methylbut-3-enylamino)-1-phenylethanol
CID 114472041
N-[2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82313978
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide?
The IUPAC name of N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide (CID 82312079) is N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide is CC(=O)NCCCNCC(O)c1ccccc1.
What is the InChIKey of N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide?
The InChIKey is QJTOXZZMZGTFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(16)15-9-5-8-14-10-13(17)12-6-3-2-4-7-12/h2-4,6-7,13-14,17H,5,8-10H2,1H3,(H,15,16).
What are the key properties of N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide?
N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide is sourced from PubChem (CID 82312079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).