2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide

C17H29N5O2 — CID 91770682

IUPAC2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)CN(C)C2CCCC2)C1
InChIInChI=1S/C17H29N5O2/c1-3-22-15(11-23)19-20-17(22)12-8-13(9-12)18-16(24)10-21(2)14-6-4-5-7-14/h12-14,23H,3-11H2,1-2H3,(H,18,24)
InChIKeyCCIHDPUBKBMIDV-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.03
Rot. Bonds7

About 2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide

2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91770682) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91770682
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)CN(C)C2CCCC2)C1
InChIInChI=1S/C17H29N5O2/c1-3-22-15(11-23)19-20-17(22)12-8-13(9-12)18-16(24)10-21(2)14-6-4-5-7-14/h12-14,23H,3-11H2,1-2H3,(H,18,24)
InChIKeyCCIHDPUBKBMIDV-UHFFFAOYSA-N
XLogP1.03
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91770682) is 2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide is CCn1c(CO)nnc1C1CC(NC(=O)CN(C)C2CCCC2)C1.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is CCIHDPUBKBMIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-3-22-15(11-23)19-20-17(22)12-8-13(9-12)18-16(24)10-21(2)14-6-4-5-7-14/h12-14,23H,3-11H2,1-2H3,(H,18,24).
What are the key properties of 2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91770682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).