ethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

C26H36N4O2 — CID 164916974

IUPACethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
SMILESCC.CN(C)C(=O)C(CCn1cc(CCCCO)nn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N4O2.C2H6/c1-27(2)23(30)24(20-11-5-3-6-12-20,21-13-7-4-8-14-21)16-17-28-19-22(25-26-28)15-9-10-18-29;1-2/h3-8,11-14,19,29H,9-10,15-18H2,1-2H3;1-2H3
InChIKeyLXDMELQVUCPPFB-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.08
Rot. Bonds10

About ethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

ethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide (PubChem CID 164916974) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is ethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide.

Molecular Properties

Compound Nameethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
PubChem CID164916974
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Nameethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
SMILESCC.CN(C)C(=O)C(CCn1cc(CCCCO)nn1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30N4O2.C2H6/c1-27(2)23(30)24(20-11-5-3-6-12-20,21-13-7-4-8-14-21)16-17-28-19-22(25-26-28)15-9-10-18-29;1-2/h3-8,11-14,19,29H,9-10,15-18H2,1-2H3;1-2H3
InChIKeyLXDMELQVUCPPFB-UHFFFAOYSA-N
XLogP4.08
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2,2-difluoro-2-phenylethyl)triazol-4-yl]propan-1-ol
CID 116790421
5-[1-[4-(dimethylamino)-4-oxobutyl]triazol-4-yl]pentanoic acid
CID 104538857
1-(9,9-dimethyldecyl)-4-(6,6-dimethylheptyl)triazole
CID 155620964
5-[1-(3-phenylpropyl)triazol-4-yl]pentanoic acid
CID 104538750
5-[1-(4,4-dimethylpentyl)triazol-4-yl]pentanoic acid
CID 114210114
2-[4-[[4-(4-hydroxybutyl)triazol-1-yl]methyl]phenyl]benzoic acid
CID 166385432
6-[4-(2-aminoethyl)triazol-1-yl]hexan-1-ol
CID 107706694
5-[1-(2-pyridin-2-ylethyl)triazol-4-yl]pentanoic acid
CID 104538704
3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol
CID 122187945
4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid
CID 101017152
3-[1-(3-hydroxy-3-methylbutyl)triazol-4-yl]propanoic acid
CID 107460771
4-(3-chloropropyl)-1-(4-phenylbutyl)triazole
CID 114334578

Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
The IUPAC name of ethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide (CID 164916974) is ethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide.
What is the SMILES notation for ethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
The canonical SMILES for ethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide is CC.CN(C)C(=O)C(CCn1cc(CCCCO)nn1)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
The InChIKey is LXDMELQVUCPPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.C2H6/c1-27(2)23(30)24(20-11-5-3-6-12-20,21-13-7-4-8-14-21)16-17-28-19-22(25-26-28)15-9-10-18-29;1-2/h3-8,11-14,19,29H,9-10,15-18H2,1-2H3;1-2H3.
What are the key properties of ethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide?
ethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide has a molecular weight of 436.60 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-(4-hydroxybutyl)triazol-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide is sourced from PubChem (CID 164916974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).