1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone

C14H18N6O2 — CID 55477811

IUPAC1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone
SMILESCC1CN(C(=O)CNc2ccc(-n3cnnn3)cc2)CCO1
InChIInChI=1S/C14H18N6O2/c1-11-9-19(6-7-22-11)14(21)8-15-12-2-4-13(5-3-12)20-10-16-17-18-20/h2-5,10-11,15H,6-9H2,1H3
InChIKeyKBIRTPZMRQEGDF-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.32
Rot. Bonds4

About 1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone

1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone (PubChem CID 55477811) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone
PubChem CID55477811
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone
SMILESCC1CN(C(=O)CNc2ccc(-n3cnnn3)cc2)CCO1
InChIInChI=1S/C14H18N6O2/c1-11-9-19(6-7-22-11)14(21)8-15-12-2-4-13(5-3-12)20-10-16-17-18-20/h2-5,10-11,15H,6-9H2,1H3
InChIKeyKBIRTPZMRQEGDF-UHFFFAOYSA-N
XLogP0.32
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone
CID 94816194
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586
1-[(2R)-2-methylmorpholin-4-yl]-2-[(1-phenylpyrazol-3-yl)amino]ethanone
CID 95579451
N-(4-ethoxyphenyl)-4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]benzamide
CID 51295319
[(2R)-2-methylmorpholin-4-yl]-[3-methyl-4-(tetrazol-1-yl)phenyl]methanone
CID 94022322
1-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[4-(tetrazol-1-yl)phenyl]urea
CID 95347485
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934963
1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea
CID 171933307
4-methyl-7-[[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]amino]chromen-2-one
CID 94759004
1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone
CID 94532818
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 111561769
4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone?
The IUPAC name of 1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone (CID 55477811) is 1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone is CC1CN(C(=O)CNc2ccc(-n3cnnn3)cc2)CCO1.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone?
The InChIKey is KBIRTPZMRQEGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-11-9-19(6-7-22-11)14(21)8-15-12-2-4-13(5-3-12)20-10-16-17-18-20/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of 1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone?
1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone has a molecular weight of 302.34 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)-2-[4-(tetrazol-1-yl)anilino]ethanone is sourced from PubChem (CID 55477811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).