1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide

C20H31N5O2 — CID 134053070

IUPAC1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide
SMILESCCC(CC)C(CNC(=O)c1ccc2c(c1)nnn2CC)N1CCOCC1
InChIInChI=1S/C20H31N5O2/c1-4-15(5-2)19(24-9-11-27-12-10-24)14-21-20(26)16-7-8-18-17(13-16)22-23-25(18)6-3/h7-8,13,15,19H,4-6,9-12,14H2,1-3H3,(H,21,26)
InChIKeyVUKQFOJSBLWGLP-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.32
Rot. Bonds8

About 1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide

1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide (PubChem CID 134053070) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide
PubChem CID134053070
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide
SMILESCCC(CC)C(CNC(=O)c1ccc2c(c1)nnn2CC)N1CCOCC1
InChIInChI=1S/C20H31N5O2/c1-4-15(5-2)19(24-9-11-27-12-10-24)14-21-20(26)16-7-8-18-17(13-16)22-23-25(18)6-3/h7-8,13,15,19H,4-6,9-12,14H2,1-3H3,(H,21,26)
InChIKeyVUKQFOJSBLWGLP-UHFFFAOYSA-N
XLogP2.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzotriazol-1-ylmethyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 46539633
1-ethyl-N-(3-ethyl-2-hydroxypentyl)benzotriazole-5-carboxamide
CID 111115972
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide
CID 55731335
1-ethyl-N-(3-hydroxy-2-methylpropyl)benzotriazole-5-carboxamide
CID 65031697
1-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]benzotriazole-5-carboxamide
CID 86981112
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135
4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide
CID 43046344
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134053109
4-(dimethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-nitrobenzamide
CID 46407135
4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide
CID 96534807

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide (CID 134053070) is 1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide is CCC(CC)C(CNC(=O)c1ccc2c(c1)nnn2CC)N1CCOCC1.
What is the InChIKey of 1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide?
The InChIKey is VUKQFOJSBLWGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-4-15(5-2)19(24-9-11-27-12-10-24)14-21-20(26)16-7-8-18-17(13-16)22-23-25(18)6-3/h7-8,13,15,19H,4-6,9-12,14H2,1-3H3,(H,21,26).
What are the key properties of 1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide?
1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-ethyl-2-morpholin-4-ylpentyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 134053070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).