N-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide

C14H23N5O3 — CID 167491275

IUPACN-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide
SMILESCCNC(=O)CCn1cc(CNC(=O)CCC(=O)CC)nn1
InChIInChI=1S/C14H23N5O3/c1-3-12(20)5-6-13(21)16-9-11-10-19(18-17-11)8-7-14(22)15-4-2/h10H,3-9H2,1-2H3,(H,15,22)(H,16,21)
InChIKeyHRNVQMAZJGNZSJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.18
Rot. Bonds10

About N-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide

N-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide (PubChem CID 167491275) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide.

Molecular Properties

Compound NameN-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide
PubChem CID167491275
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC NameN-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide
SMILESCCNC(=O)CCn1cc(CNC(=O)CCC(=O)CC)nn1
InChIInChI=1S/C14H23N5O3/c1-3-12(20)5-6-13(21)16-9-11-10-19(18-17-11)8-7-14(22)15-4-2/h10H,3-9H2,1-2H3,(H,15,22)(H,16,21)
InChIKeyHRNVQMAZJGNZSJ-UHFFFAOYSA-N
XLogP0.18
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide?
The IUPAC name of N-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide (CID 167491275) is N-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide.
What is the SMILES notation for N-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide?
The canonical SMILES for N-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide is CCNC(=O)CCn1cc(CNC(=O)CCC(=O)CC)nn1.
What is the InChIKey of N-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide?
The InChIKey is HRNVQMAZJGNZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-3-12(20)5-6-13(21)16-9-11-10-19(18-17-11)8-7-14(22)15-4-2/h10H,3-9H2,1-2H3,(H,15,22)(H,16,21).
What are the key properties of N-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide?
N-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide has a molecular weight of 309.37 g/mol, XLogP of 0.18, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(ethylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide is sourced from PubChem (CID 167491275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).