N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide

C15H24N2O2 — CID 111471683

IUPACN-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-12(2)17(3)11-15(19)16-10-9-14(18)13-7-5-4-6-8-13/h4-8,12,14,18H,9-11H2,1-3H3,(H,16,19)
InChIKeyRUKOJUSHBXTEKN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.57
Rot. Bonds7

About N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide

N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 111471683) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID111471683
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-12(2)17(3)11-15(19)16-10-9-14(18)13-7-5-4-6-8-13/h4-8,12,14,18H,9-11H2,1-3H3,(H,16,19)
InChIKeyRUKOJUSHBXTEKN-UHFFFAOYSA-N
XLogP1.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111661950
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
N-(3-hydroxy-3-phenylpropyl)-2-phenylsulfanylacetamide
CID 111471528
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150859
4-(dimethylsulfamoyl)-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499587
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide (CID 111471683) is N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide is CC(C)N(C)CC(=O)NCCC(O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is RUKOJUSHBXTEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)17(3)11-15(19)16-10-9-14(18)13-7-5-4-6-8-13/h4-8,12,14,18H,9-11H2,1-3H3,(H,16,19).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide?
N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 264.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 111471683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).