2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C13H21N5O2 — CID 75375494

IUPAC2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(=O)NC(C(=O)NC(C)c1ncn[nH]1)C1CCCC1
InChIInChI=1S/C13H21N5O2/c1-8(12-14-7-15-18-12)16-13(20)11(17-9(2)19)10-5-3-4-6-10/h7-8,10-11H,3-6H2,1-2H3,(H,16,20)(H,17,19)(H,14,15,18)
InChIKeyUBMFPXDCWNVFGL-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.68
Rot. Bonds5

About 2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 75375494) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID75375494
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(=O)NC(C(=O)NC(C)c1ncn[nH]1)C1CCCC1
InChIInChI=1S/C13H21N5O2/c1-8(12-14-7-15-18-12)16-13(20)11(17-9(2)19)10-5-3-4-6-10/h7-8,10-11H,3-6H2,1-2H3,(H,16,20)(H,17,19)(H,14,15,18)
InChIKeyUBMFPXDCWNVFGL-UHFFFAOYSA-N
XLogP0.68
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 97219658
2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide
CID 86912436
1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103912459
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282578
(2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide
CID 94491136
(2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 95626559
3-chloro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282499
(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282665
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 25363384
2-(carbamoylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725995
2-acetamido-2-cyclopentyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 134026215

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 75375494) is 2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is CC(=O)NC(C(=O)NC(C)c1ncn[nH]1)C1CCCC1.
What is the InChIKey of 2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is UBMFPXDCWNVFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-8(12-14-7-15-18-12)16-13(20)11(17-9(2)19)10-5-3-4-6-10/h7-8,10-11H,3-6H2,1-2H3,(H,16,20)(H,17,19)(H,14,15,18).
What are the key properties of 2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 75375494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).