N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide

C18H27NO2 — CID 102867408

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)N(CCO)C1CCC1)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-14(2)17(15-8-5-4-6-9-15)18(21)19(12-13-20)16-10-7-11-16/h4-6,8-9,14,16-17,20H,3,7,10-13H2,1-2H3
InChIKeyPBNJYAFRYUOKFB-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.19
Rot. Bonds7

About N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide

N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide (PubChem CID 102867408) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide
PubChem CID102867408
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)N(CCO)C1CCC1)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-14(2)17(15-8-5-4-6-9-15)18(21)19(12-13-20)16-10-7-11-16/h4-6,8-9,14,16-17,20H,3,7,10-13H2,1-2H3
InChIKeyPBNJYAFRYUOKFB-UHFFFAOYSA-N
XLogP3.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71261
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2-phenyl-N,N-di(propan-2-yl)butanamide
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N-(2-hydroxyethyl)-N-methyl-2,2-diphenylacetamide
CID 921388
N-(2-hydroxyethyl)-2,2-diphenyl-N-(propan-2-yl)acetamide
CID 659521
N-ethyl-N-(2-hydroxyethyl)-2,2-diphenylacetamide
CID 921277
N-Hydroxy-2-(4-isobutyl-phenyl)-N-isopropyl-propionamide
CID 44307422
1-Morpholin-4-yl-2-phenylpropan-1-one
CID 11031349
2-(4-Isobutylphenyl)-1-morpholinopropan-1-one
CID 2850328
N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 5459522
Benzeneacetamide, N,N-bis(1-methylethyl)-
CID 118624
E-5050
CID 129506

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide (CID 102867408) is N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide is CCC(C)C(C(=O)N(CCO)C1CCC1)c1ccccc1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide?
The InChIKey is PBNJYAFRYUOKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-14(2)17(15-8-5-4-6-9-15)18(21)19(12-13-20)16-10-7-11-16/h4-6,8-9,14,16-17,20H,3,7,10-13H2,1-2H3.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide?
N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide has a molecular weight of 289.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 102867408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).