N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide

C17H22F2N6O2 — CID 29258075

IUPACN-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide
SMILESCc1ccc(F)c(CNC(=O)CCn2nnnc2CN2CCOCC2)c1F
InChIInChI=1S/C17H22F2N6O2/c1-12-2-3-14(18)13(17(12)19)10-20-16(26)4-5-25-15(21-22-23-25)11-24-6-8-27-9-7-24/h2-3H,4-11H2,1H3,(H,20,26)
InChIKeyHUQUANCRIFQRON-UHFFFAOYSA-N
MW380.40 g/mol
LogP0.80
Rot. Bonds7

About N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide

N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide (PubChem CID 29258075) has the molecular formula C17H22F2N6O2 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide
PubChem CID29258075
Molecular FormulaC17H22F2N6O2
Molecular Weight380.40 g/mol
Exact Mass380.18
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide
SMILESCc1ccc(F)c(CNC(=O)CCn2nnnc2CN2CCOCC2)c1F
InChIInChI=1S/C17H22F2N6O2/c1-12-2-3-14(18)13(17(12)19)10-20-16(26)4-5-25-15(21-22-23-25)11-24-6-8-27-9-7-24/h2-3H,4-11H2,1H3,(H,20,26)
InChIKeyHUQUANCRIFQRON-UHFFFAOYSA-N
XLogP0.80
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
CID 72923800
4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 24819328
4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]butanamide
CID 31018523
1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 26398739
2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
CID 72879777
N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 24794167
N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
CID 72844031
ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate
CID 25382715
N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide
CID 29258468
N-[(1-ethylpyrazol-4-yl)methyl]-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]butanamide
CID 26336170
N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
CID 45215800
1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 97277818

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide (CID 29258075) is N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide is Cc1ccc(F)c(CNC(=O)CCn2nnnc2CN2CCOCC2)c1F.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide?
The InChIKey is HUQUANCRIFQRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N6O2/c1-12-2-3-14(18)13(17(12)19)10-20-16(26)4-5-25-15(21-22-23-25)11-24-6-8-27-9-7-24/h2-3H,4-11H2,1H3,(H,20,26).
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide?
N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide has a molecular weight of 380.40 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide is sourced from PubChem (CID 29258075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).