N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide

C17H23N5O2 — CID 51253483

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(-n2cncn2)cc1)N1CCOCC1
InChIInChI=1S/C17H23N5O2/c1-17(2,21-7-9-24-10-8-21)11-19-16(23)14-3-5-15(6-4-14)22-13-18-12-20-22/h3-6,12-13H,7-11H2,1-2H3,(H,19,23)
InChIKeyFUTRUGZANYMCDF-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.11
Rot. Bonds5

About N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide

N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 51253483) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID51253483
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCC(C)(CNC(=O)c1ccc(-n2cncn2)cc1)N1CCOCC1
InChIInChI=1S/C17H23N5O2/c1-17(2,21-7-9-24-10-8-21)11-19-16(23)14-3-5-15(6-4-14)22-13-18-12-20-22/h3-6,12-13H,7-11H2,1-2H3,(H,19,23)
InChIKeyFUTRUGZANYMCDF-UHFFFAOYSA-N
XLogP1.11
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18160252
4-(3-amino-4-pyridinyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 122572179
N-(2-methyl-2-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4882501
tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate
CID 17476807
N-(2,2-dimethylpropyl)-4-morpholin-4-ylbenzamide
CID 110474046
4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 17488295
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 30841499
N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 39651009
3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 61251148
4-morpholin-4-yl-N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]benzamide
CID 71805265
2,2-dimethyl-1-[4-(1,2,4-triazol-1-yl)phenyl]propan-1-one
CID 58252503

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide (CID 51253483) is N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide is CC(C)(CNC(=O)c1ccc(-n2cncn2)cc1)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is FUTRUGZANYMCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-17(2,21-7-9-24-10-8-21)11-19-16(23)14-3-5-15(6-4-14)22-13-18-12-20-22/h3-6,12-13H,7-11H2,1-2H3,(H,19,23).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 329.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 51253483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).