N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide

C15H22N2O3 — CID 79199579

IUPACN-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)CCCCO
InChIInChI=1S/C15H22N2O3/c1-12(19)17(2)11-13-7-3-4-8-14(13)16-15(20)9-5-6-10-18/h3-4,7-8,18H,5-6,9-11H2,1-2H3,(H,16,20)
InChIKeyFGSBQPQOXAUMKW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.77
Rot. Bonds7

About N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide (PubChem CID 79199579) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide
PubChem CID79199579
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)CCCCO
InChIInChI=1S/C15H22N2O3/c1-12(19)17(2)11-13-7-3-4-8-14(13)16-15(20)9-5-6-10-18/h3-4,7-8,18H,5-6,9-11H2,1-2H3,(H,16,20)
InChIKeyFGSBQPQOXAUMKW-UHFFFAOYSA-N
XLogP1.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
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-[[acetyl(methyl)amino]methyl]phenyl]-3-(ethylamino)propanamide
CID 62832902
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-(2-ethoxyphenoxy)butanamide
CID 38324139
(E)-4-[2-[[acetyl(methyl)amino]methyl]anilino]-4-oxobut-2-enoic acid
CID 60941940
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60867454
N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide
CID 54924337
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 46403346
5-hydroxy-N-(2-methylsulfanylphenyl)pentanamide
CID 79199002
N-(2-fluorophenyl)-5-hydroxypentanamide
CID 79019059
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
CID 65464216
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 39277767
N-(2-benzylphenyl)-4-hydroxybutanamide
CID 79205131

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide (CID 79199579) is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide is CC(=O)N(C)Cc1ccccc1NC(=O)CCCCO.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide?
The InChIKey is FGSBQPQOXAUMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(19)17(2)11-13-7-3-4-8-14(13)16-15(20)9-5-6-10-18/h3-4,7-8,18H,5-6,9-11H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide?
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide has a molecular weight of 278.35 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide is sourced from PubChem (CID 79199579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).