1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide

C15H20N4O2 — CID 30894759

IUPAC1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCC[C@@H]3CCCO3)ccc21
InChIInChI=1S/C15H20N4O2/c1-2-19-14-6-5-11(10-13(14)17-18-19)15(20)16-8-7-12-4-3-9-21-12/h5-6,10,12H,2-4,7-9H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyYYEIUSKAWSIGOO-LBPRGKRZSA-N
MW288.35 g/mol
LogP1.75
Rot. Bonds5

About 1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide

1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide (PubChem CID 30894759) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide
PubChem CID30894759
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCC[C@@H]3CCCO3)ccc21
InChIInChI=1S/C15H20N4O2/c1-2-19-14-6-5-11(10-13(14)17-18-19)15(20)16-8-7-12-4-3-9-21-12/h5-6,10,12H,2-4,7-9H2,1H3,(H,16,20)/t12-/m0/s1
InChIKeyYYEIUSKAWSIGOO-LBPRGKRZSA-N
XLogP1.75
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-ethylbenzotriazole-5-carboxylate
CID 7806153
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254
1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
CID 103918979
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
1-ethyl-N-[(1R,2R)-2-methylcyclohexyl]benzotriazole-5-carboxamide
CID 26800374
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
1-ethyl-N-[3-(2-methylpropoxy)propyl]benzotriazole-5-carboxamide
CID 51297094
N-(1,3-benzothiazol-2-yl)-1-ethyl-N-(oxolan-2-ylmethyl)benzotriazole-5-carboxamide
CID 42896285
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
1-ethyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzotriazole-5-carboxamide
CID 78849399

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide (CID 30894759) is 1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)NCC[C@@H]3CCCO3)ccc21.
What is the InChIKey of 1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide?
The InChIKey is YYEIUSKAWSIGOO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-19-14-6-5-11(10-13(14)17-18-19)15(20)16-8-7-12-4-3-9-21-12/h5-6,10,12H,2-4,7-9H2,1H3,(H,16,20)/t12-/m0/s1.
What are the key properties of 1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide?
1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 30894759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).