N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide

C14H22N2O2 — CID 82312288

IUPACN-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide
SMILESCC(=O)NCCCNCC(O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O2/c1-11-4-6-13(7-5-11)14(18)10-15-8-3-9-16-12(2)17/h4-7,14-15,18H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyAPBRGICWTJSGHJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.14
Rot. Bonds7

About N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide

N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide (PubChem CID 82312288) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide
PubChem CID82312288
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide
SMILESCC(=O)NCCCNCC(O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O2/c1-11-4-6-13(7-5-11)14(18)10-15-8-3-9-16-12(2)17/h4-7,14-15,18H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyAPBRGICWTJSGHJ-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.14
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-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]acetamide
CID 82312252
N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 82312079
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 82312246
N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide
CID 82312351
2-(3-acetamidopropylamino)-2-(4-methylphenyl)acetic acid
CID 84751109
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
(1R)-2-(ethylamino)-1-(4-methylphenyl)ethanol
CID 39237107
(Z)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2,3-dimethylpent-2-enamide
CID 110025845
1-(4-methylphenyl)-2-(2-phenylethylamino)ethanol
CID 112501683
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]butanoic acid
CID 82312764
2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide
CID 112827264

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide?
The IUPAC name of N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide (CID 82312288) is N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide.
What is the SMILES notation for N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide?
The canonical SMILES for N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide is CC(=O)NCCCNCC(O)c1ccc(C)cc1.
What is the InChIKey of N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide?
The InChIKey is APBRGICWTJSGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-4-6-13(7-5-11)14(18)10-15-8-3-9-16-12(2)17/h4-7,14-15,18H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide?
N-[3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.14, 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-(4-methylphenyl)ethyl]amino]propyl]acetamide is sourced from PubChem (CID 82312288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).