2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone

C18H24N6O2 — CID 39998898

IUPAC2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)C[C@H](C)O1
InChIInChI=1S/C18H24N6O2/c1-12-10-23(11-13(2)26-12)17(25)9-19-15-5-3-14(4-6-15)18-20-21-22-24(18)16-7-8-16/h3-6,12-13,16,19H,7-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyGVAVHHQXLDPYBW-STQMWFEESA-N
MW356.43 g/mol
LogP1.72
Rot. Bonds5

About 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone

2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone (PubChem CID 39998898) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
PubChem CID39998898
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
SMILESC[C@H]1CN(C(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)C[C@H](C)O1
InChIInChI=1S/C18H24N6O2/c1-12-10-23(11-13(2)26-12)17(25)9-19-15-5-3-14(4-6-15)18-20-21-22-24(18)16-7-8-16/h3-6,12-13,16,19H,7-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyGVAVHHQXLDPYBW-STQMWFEESA-N
XLogP1.72
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 51934098
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide
CID 55565410
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 134020195
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 134020158
N-[1-(4-bromophenyl)ethyl]-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 55565705
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37228950
1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea
CID 51124917
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 134020192
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
1-(azocan-1-yl)-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethanone
CID 94631749
(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 39974905

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone (CID 39998898) is 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone is C[C@H]1CN(C(=O)CNc2ccc(-c3nnnn3C3CC3)cc2)C[C@H](C)O1.
What is the InChIKey of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
The InChIKey is GVAVHHQXLDPYBW-STQMWFEESA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-10-23(11-13(2)26-12)17(25)9-19-15-5-3-14(4-6-15)18-20-21-22-24(18)16-7-8-16/h3-6,12-13,16,19H,7-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone?
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone has a molecular weight of 356.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 39998898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).