(2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide

C16H25NO4 — CID 125469748

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCCCOc1ccccc1
InChIInChI=1S/C16H25NO4/c1-16(2,12-18)14(19)15(20)17-10-6-7-11-21-13-8-4-3-5-9-13/h3-5,8-9,14,18-19H,6-7,10-12H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyJIIXNODBXYLBRH-AWEZNQCLSA-N
MW295.38 g/mol
LogP1.34
Rot. Bonds9

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide

(2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide (PubChem CID 125469748) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide
PubChem CID125469748
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCCCOc1ccccc1
InChIInChI=1S/C16H25NO4/c1-16(2,12-18)14(19)15(20)17-10-6-7-11-21-13-8-4-3-5-9-13/h3-5,8-9,14,18-19H,6-7,10-12H2,1-2H3,(H,17,20)/t14-/m0/s1
InChIKeyJIIXNODBXYLBRH-AWEZNQCLSA-N
XLogP1.34
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.34
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

(2R)-N-[3-(benzylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 25172418
1-(4-phenoxybutyl)-3-phenylurea
CID 19353776
N-pentyl-2-(2-phenoxyethylamino)propanamide
CID 60720089
(2R)-N-[2-[(2-chloroacetyl)-[2-[4-(methylamino)phenoxy]ethyl]amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 144594731
(2S)-2,4-dihydroxy-3,3-dimethyl-N-(2-naphthalen-1-ylethyl)butanamide
CID 125469777
N-[4-(benzylamino)-3,4-dioxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 118272081
N-[2-[(2-chloroacetyl)-[2-(4-cyanophenoxy)ethyl]amino]ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 118271841
N-(2-phenoxyethyl)-2-sulfanylpropanamide
CID 107026809
2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
N-(2,3-dihydroxy-2-methylpropyl)-4-phenoxybutanamide
CID 66168988

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide (CID 125469748) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide is CC(C)(CO)[C@@H](O)C(=O)NCCCCOc1ccccc1.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide?
The InChIKey is JIIXNODBXYLBRH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(2,12-18)14(19)15(20)17-10-6-7-11-21-13-8-4-3-5-9-13/h3-5,8-9,14,18-19H,6-7,10-12H2,1-2H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide has a molecular weight of 295.38 g/mol, XLogP of 1.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-(4-phenoxybutyl)butanamide is sourced from PubChem (CID 125469748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).