N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide

C14H21NO4 — CID 66168988

IUPACN-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
SMILESCC(O)(CO)CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C14H21NO4/c1-14(18,11-16)10-15-13(17)8-5-9-19-12-6-3-2-4-7-12/h2-4,6-7,16,18H,5,8-11H2,1H3,(H,15,17)
InChIKeyYRBQLURAULZSHH-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.71
Rot. Bonds8

About N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide

N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide (PubChem CID 66168988) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
PubChem CID66168988
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
SMILESCC(O)(CO)CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C14H21NO4/c1-14(18,11-16)10-15-13(17)8-5-9-19-12-6-3-2-4-7-12/h2-4,6-7,16,18H,5,8-11H2,1H3,(H,15,17)
InChIKeyYRBQLURAULZSHH-UHFFFAOYSA-N
XLogP0.71
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 66169825
N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide
CID 66170491
N-[2-(dimethylamino)-2-methylpropyl]-3-phenoxypropanamide
CID 112504871
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-3-oxopropyl]benzamide
CID 66169997
N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
CID 107261214
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
N-(2-methylbutan-2-yl)-4-phenoxybutanamide
CID 17372829
N-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
N-(4-amino-2,2-dimethylbutyl)-3-phenoxypropanamide
CID 106139517
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenoxy)acetamide
CID 66170410
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide (CID 66168988) is N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide is CC(O)(CO)CNC(=O)CCCOc1ccccc1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide?
The InChIKey is YRBQLURAULZSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(18,11-16)10-15-13(17)8-5-9-19-12-6-3-2-4-7-12/h2-4,6-7,16,18H,5,8-11H2,1H3,(H,15,17).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide?
N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide has a molecular weight of 267.32 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide is sourced from PubChem (CID 66168988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).