(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide

C14H26N4O3 — CID 164617904

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCCCCCn1cnc(CNC(=O)[C@H](O)C(C)(C)CO)n1
InChIInChI=1S/C14H26N4O3/c1-4-5-6-7-18-10-16-11(17-18)8-15-13(21)12(20)14(2,3)9-19/h10,12,19-20H,4-9H2,1-3H3,(H,15,21)/t12-/m0/s1
InChIKeyZZXNQAUNJWSKPA-LBPRGKRZSA-N
MW298.39 g/mol
LogP0.46
Rot. Bonds9

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide (PubChem CID 164617904) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide
PubChem CID164617904
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide
SMILESCCCCCn1cnc(CNC(=O)[C@H](O)C(C)(C)CO)n1
InChIInChI=1S/C14H26N4O3/c1-4-5-6-7-18-10-16-11(17-18)8-15-13(21)12(20)14(2,3)9-19/h10,12,19-20H,4-9H2,1-3H3,(H,15,21)/t12-/m0/s1
InChIKeyZZXNQAUNJWSKPA-LBPRGKRZSA-N
XLogP0.46
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(5-pentyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 164627062
(1-octyl-1,2,4-triazol-3-yl)methanol
CID 156537747
(2R)-N-[(2-butoxy-3-pyridinyl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 126829299
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[[2-oxo-2-(pentylamino)ethyl]amino]propyl]butanamide
CID 90682631
4-[[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]methyl]benzoate
CID 7335953
N-(3,3-dihydroxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 142091533
(1-propyl-1,2,4-triazol-3-yl)methanol
CID 18361799
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 46830480
N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125202
(2S)-N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125211
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 25171583
1-octyl-1,2,4-triazol-3-amine
CID 60911063

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide (CID 164617904) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide is CCCCCn1cnc(CNC(=O)[C@H](O)C(C)(C)CO)n1.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide?
The InChIKey is ZZXNQAUNJWSKPA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-4-5-6-7-18-10-16-11(17-18)8-15-13(21)12(20)14(2,3)9-19/h10,12,19-20H,4-9H2,1-3H3,(H,15,21)/t12-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide has a molecular weight of 298.39 g/mol, XLogP of 0.46, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[(1-pentyl-1,2,4-triazol-3-yl)methyl]butanamide is sourced from PubChem (CID 164617904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).