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

C18H27N5O2 — CID 167811569

IUPAC3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide
SMILESCCC(CN1CCOCC1)NC(=O)C(C)Cn1nnc2ccccc21
InChIInChI=1S/C18H27N5O2/c1-3-15(13-22-8-10-25-11-9-22)19-18(24)14(2)12-23-17-7-5-4-6-16(17)20-21-23/h4-7,14-15H,3,8-13H2,1-2H3,(H,19,24)
InChIKeyTTWPNKMEKHBUFF-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.29
Rot. Bonds7

About 3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide

3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide (PubChem CID 167811569) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide
PubChem CID167811569
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide
SMILESCCC(CN1CCOCC1)NC(=O)C(C)Cn1nnc2ccccc21
InChIInChI=1S/C18H27N5O2/c1-3-15(13-22-8-10-25-11-9-22)19-18(24)14(2)12-23-17-7-5-4-6-16(17)20-21-23/h4-7,14-15H,3,8-13H2,1-2H3,(H,19,24)
InChIKeyTTWPNKMEKHBUFF-UHFFFAOYSA-N
XLogP1.29
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide?
The IUPAC name of 3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide (CID 167811569) is 3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide?
The canonical SMILES for 3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide is CCC(CN1CCOCC1)NC(=O)C(C)Cn1nnc2ccccc21.
What is the InChIKey of 3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide?
The InChIKey is TTWPNKMEKHBUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-15(13-22-8-10-25-11-9-22)19-18(24)14(2)12-23-17-7-5-4-6-16(17)20-21-23/h4-7,14-15H,3,8-13H2,1-2H3,(H,19,24).
What are the key properties of 3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide?
3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide has a molecular weight of 345.45 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-2-methyl-N-(1-morpholin-4-ylbutan-2-yl)propanamide is sourced from PubChem (CID 167811569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).