(2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide

C16H26N2O4 — CID 126829299

IUPAC(2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCCCCOc1ncccc1CNC(=O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C16H26N2O4/c1-4-5-9-22-15-12(7-6-8-17-15)10-18-14(21)13(20)16(2,3)11-19/h6-8,13,19-20H,4-5,9-11H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeySGWSZNWXTFYJPV-ZDUSSCGKSA-N
MW310.39 g/mol
LogP1.26
Rot. Bonds9

About (2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide

(2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 126829299) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is (2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID126829299
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name(2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCCCCOc1ncccc1CNC(=O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C16H26N2O4/c1-4-5-9-22-15-12(7-6-8-17-15)10-18-14(21)13(20)16(2,3)11-19/h6-8,13,19-20H,4-5,9-11H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeySGWSZNWXTFYJPV-ZDUSSCGKSA-N
XLogP1.26
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-butoxy-3-pyridinyl)methyl]-2-chloro-2-fluoroacetamide;2,2,2-trifluoroacetic acid
CID 166427986
N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide
CID 126809112
(2R)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795522
(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795520
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52760208
tert-butyl N-[3-[[N-[(2-butoxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886374
1-[(2-butoxy-3-pyridinyl)methyl]-3-butyl-2-methylguanidine
CID 111150836
(2S)-2-amino-3,3-dimethyl-N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 119852317
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
CID 62292620
3-[[(2-butoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 122030752
1-[(2-butoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111706542
(4R)-N-[(2-butoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 126840794

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of (2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide (CID 126829299) is (2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide is CCCCOc1ncccc1CNC(=O)[C@H](O)C(C)(C)CO.
What is the InChIKey of (2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is SGWSZNWXTFYJPV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-4-5-9-22-15-12(7-6-8-17-15)10-18-14(21)13(20)16(2,3)11-19/h6-8,13,19-20H,4-5,9-11H2,1-3H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
(2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 310.39 g/mol, XLogP of 1.26, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 126829299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).