N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide

C18H20N4O2 — CID 78808654

IUPACN,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)c(C)o1
InChIInChI=1S/C18H20N4O2/c1-12-9-17(14(3)24-12)18(23)21(4)13(2)15-5-7-16(8-6-15)22-11-19-10-20-22/h5-11,13H,1-4H3
InChIKeyAQBBZOUPIPDJCX-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.31
Rot. Bonds4

About N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide

N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide (PubChem CID 78808654) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide
PubChem CID78808654
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)c(C)o1
InChIInChI=1S/C18H20N4O2/c1-12-9-17(14(3)24-12)18(23)21(4)13(2)15-5-7-16(8-6-15)22-11-19-10-20-22/h5-11,13H,1-4H3
InChIKeyAQBBZOUPIPDJCX-UHFFFAOYSA-N
XLogP3.31
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9470834
N,3-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
CID 51207161
2,4-difluoro-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 8820407
N-methyl-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]chromene-3-carboxamide
CID 51201676
2-chloro-N-methyl-5-methylsulfanyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 46821125
2-chloro-4,5-difluoro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 51201668
4-chloro-2-iodo-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 55686577
3,5-difluoro-N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471095
4-N-methyl-4-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46613787
7-fluoro-N,2-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-3-carboxamide
CID 46667228
5-[methyl-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]carbamoyl]furan-3-carboxylic acid
CID 146132692
N-methyl-2-nitro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 33183818

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide (CID 78808654) is N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide is Cc1cc(C(=O)N(C)C(C)c2ccc(-n3cncn3)cc2)c(C)o1.
What is the InChIKey of N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide?
The InChIKey is AQBBZOUPIPDJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-9-17(14(3)24-12)18(23)21(4)13(2)15-5-7-16(8-6-15)22-11-19-10-20-22/h5-11,13H,1-4H3.
What are the key properties of N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide?
N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 78808654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).