1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one

C17H24N6O2 — CID 94521709

IUPAC1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one
SMILESCc1ccc(-n2nnnc2NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C17H24N6O2/c1-12-4-6-15(7-5-12)23-17(19-20-21-23)18-9-8-16(24)22-10-13(2)25-14(3)11-22/h4-7,13-14H,8-11H2,1-3H3,(H,18,19,21)/t13-,14-/m0/s1
InChIKeyNTKHKYUPDALUBY-KBPBESRZSA-N
MW344.42 g/mol
LogP1.41
Rot. Bonds5

About 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one (PubChem CID 94521709) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one
PubChem CID94521709
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one
SMILESCc1ccc(-n2nnnc2NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C17H24N6O2/c1-12-4-6-15(7-5-12)23-17(19-20-21-23)18-9-8-16(24)22-10-13(2)25-14(3)11-22/h4-7,13-14H,8-11H2,1-3H3,(H,18,19,21)/t13-,14-/m0/s1
InChIKeyNTKHKYUPDALUBY-KBPBESRZSA-N
XLogP1.41
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one with MolForge

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Related Compounds

1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine
CID 56816150
1-(2,6-dimethylmorpholin-4-yl)-3-(4-methylphenyl)sulfanylpropan-1-one
CID 17187441
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 39998898
1-(2,6-dimethylmorpholin-4-yl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 4589826
N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide
CID 60521247
1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)tetrazol-5-amine
CID 47292449
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetate
CID 7567192
1-(2,6-dimethylmorpholin-4-yl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethanone
CID 84838453
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-3-methylbenzamide
CID 18108357
4-[3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propyl]-1,4-benzoxazin-3-one
CID 133330600
1-(2,6-dimethylmorpholin-4-yl)-2-(1-methyltetrazol-5-yl)ethanone
CID 110498375
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[[7-(4-methylphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazol-3-yl]sulfanyl]ethanone
CID 41160374

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one?
The IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one (CID 94521709) is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one.
What is the SMILES notation for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one?
The canonical SMILES for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one is Cc1ccc(-n2nnnc2NCCC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one?
The InChIKey is NTKHKYUPDALUBY-KBPBESRZSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12-4-6-15(7-5-12)23-17(19-20-21-23)18-9-8-16(24)22-10-13(2)25-14(3)11-22/h4-7,13-14H,8-11H2,1-3H3,(H,18,19,21)/t13-,14-/m0/s1.
What are the key properties of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one?
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one has a molecular weight of 344.42 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[[1-(4-methylphenyl)tetrazol-5-yl]amino]propan-1-one is sourced from PubChem (CID 94521709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).