N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide

C26H32N4O2 — CID 149236617

IUPACN-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(-c2ccccc2C2=NN=NC2)cc1)C(C(C)=O)C(C)C
InChIInChI=1S/C26H32N4O2/c1-5-6-11-25(32)30(26(18(2)3)19(4)31)17-20-12-14-21(15-13-20)22-9-7-8-10-23(22)24-16-27-29-28-24/h7-10,12-15,18,26H,5-6,11,16-17H2,1-4H3
InChIKeyXLIUNKRXQYGNSJ-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.66
Rot. Bonds10

About N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide

N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide (PubChem CID 149236617) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide
PubChem CID149236617
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(-c2ccccc2C2=NN=NC2)cc1)C(C(C)=O)C(C)C
InChIInChI=1S/C26H32N4O2/c1-5-6-11-25(32)30(26(18(2)3)19(4)31)17-20-12-14-21(15-13-20)22-9-7-8-10-23(22)24-16-27-29-28-24/h7-10,12-15,18,26H,5-6,11,16-17H2,1-4H3
InChIKeyXLIUNKRXQYGNSJ-UHFFFAOYSA-N
XLogP5.66
TPSA74.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide with MolForge

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Related Compounds

N-[[4-[2-[(hydrazinyl-λ3-iodanylidene)methyl]phenyl]phenyl]methyl]-N-[(3S)-2-methyl-4-oxopentan-3-yl]pentanamide
CID 142618890
(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
CID 87259889
3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid;hydrobromide
CID 175023269
(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid;trihydrate
CID 66677523
acetic acid;ethyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate
CID 175004099
calcium;hydride;3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
CID 173007506
disodium bis((2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate)
CID 158933885
magnesium bis((2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate)
CID 66676718
methyl (2R)-2-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-3-methylbutanoate
CID 66577388
(2S)-3-methyl-2-[[4-[2-(2-nitrosotetrazol-5-yl)phenyl]phenyl]methyl-pentanoylamino]butanoic acid
CID 169444524
CID 145030191
CID 145030191
methyl 2-[[4-[2-[(Z)-C-aminocarbonohydrazonoyl]phenyl]phenyl]methyl-pentanoylamino]-3-methylbutanoate
CID 144597321

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide (CID 149236617) is N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide is CCCCC(=O)N(Cc1ccc(-c2ccccc2C2=NN=NC2)cc1)C(C(C)=O)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide?
The InChIKey is XLIUNKRXQYGNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-5-6-11-25(32)30(26(18(2)3)19(4)31)17-20-12-14-21(15-13-20)22-9-7-8-10-23(22)24-16-27-29-28-24/h7-10,12-15,18,26H,5-6,11,16-17H2,1-4H3.
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide?
N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide has a molecular weight of 432.57 g/mol, XLogP of 5.66, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-N-[[4-[2-(4H-triazol-5-yl)phenyl]phenyl]methyl]pentanamide is sourced from PubChem (CID 149236617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).