2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

C16H23N5O2 — CID 10829295

IUPAC2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)n1nnc2ccccc21
InChIInChI=1S/C16H23N5O2/c1-16(2,21-14-6-4-3-5-13(14)18-19-21)15(22)17-7-8-20-9-11-23-12-10-20/h3-6H,7-12H2,1-2H3,(H,17,22)
InChIKeyKTOSKJJCGLQFNT-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.61
Rot. Bonds5

About 2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 10829295) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID10829295
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESCC(C)(C(=O)NCCN1CCOCC1)n1nnc2ccccc21
InChIInChI=1S/C16H23N5O2/c1-16(2,21-14-6-4-3-5-13(14)18-19-21)15(22)17-7-8-20-9-11-23-12-10-20/h3-6H,7-12H2,1-2H3,(H,17,22)
InChIKeyKTOSKJJCGLQFNT-UHFFFAOYSA-N
XLogP0.61
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 39854876
2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 848727
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459
N-(2-fluorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960434
2-amino-N-(4-morpholin-4-ylbutyl)-2-phenylpropanamide;dihydrochloride
CID 120595503
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108960416
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
1-ethyl-N-(2-morpholin-4-ylethyl)benzimidazol-2-amine;dihydrochloride
CID 44888954
(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 7375443
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (CID 10829295) is 2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is CC(C)(C(=O)NCCN1CCOCC1)n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is KTOSKJJCGLQFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-16(2,21-14-6-4-3-5-13(14)18-19-21)15(22)17-7-8-20-9-11-23-12-10-20/h3-6H,7-12H2,1-2H3,(H,17,22).
What are the key properties of 2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 10829295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).