N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide

C16H25NO2 — CID 109379708

IUPACN-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide
SMILESCC(O)CCNC(=O)CCC(C)(C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-13(18)10-12-17-15(19)9-11-16(2,3)14-7-5-4-6-8-14/h4-8,13,18H,9-12H2,1-3H3,(H,17,19)
InChIKeyCCCYEDGWGUIBQM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.63
Rot. Bonds7

About N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide

N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide (PubChem CID 109379708) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide
PubChem CID109379708
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide
SMILESCC(O)CCNC(=O)CCC(C)(C)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-13(18)10-12-17-15(19)9-11-16(2,3)14-7-5-4-6-8-14/h4-8,13,18H,9-12H2,1-3H3,(H,17,19)
InChIKeyCCCYEDGWGUIBQM-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide
CID 110354804
N-[2-(diethylamino)propyl]-4-methyl-4-phenylpentanamide
CID 110353171
N-(2-anilino-2-oxoethyl)-4-methyl-4-phenylpentanamide
CID 110353745
N-[4-(3-hydroxybutylamino)-4-oxobutyl]benzamide
CID 111433432
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide
CID 110425742
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide
CID 109380164
N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide
CID 110410733
3-amino-N-[(3S)-3-hydroxybutyl]propanamide
CID 86323935
4-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-phenylpentanamide
CID 110353950
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898
4-methoxy-2-[(4-methyl-4-phenylpentanoyl)amino]butanoic acid
CID 120703228
1-(3-hydroxybutyl)-3-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]urea
CID 111337389

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide?
The IUPAC name of N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide (CID 109379708) is N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide.
What is the SMILES notation for N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide?
The canonical SMILES for N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide is CC(O)CCNC(=O)CCC(C)(C)c1ccccc1.
What is the InChIKey of N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide?
The InChIKey is CCCYEDGWGUIBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(18)10-12-17-15(19)9-11-16(2,3)14-7-5-4-6-8-14/h4-8,13,18H,9-12H2,1-3H3,(H,17,19).
What are the key properties of N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide?
N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide has a molecular weight of 263.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide is sourced from PubChem (CID 109379708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).