3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide

C18H24N6O3 — CID 650637

IUPAC3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccccc1-c1nnn(CC(=O)N2CCOCC2)n1
InChIInChI=1S/C18H24N6O3/c1-13(2)11-16(25)19-15-6-4-3-5-14(15)18-20-22-24(21-18)12-17(26)23-7-9-27-10-8-23/h3-6,13H,7-12H2,1-2H3,(H,19,25)
InChIKeyRVGIDUOLMWLLOV-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.18
Rot. Bonds6

About 3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide

3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide (PubChem CID 650637) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide
PubChem CID650637
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccccc1-c1nnn(CC(=O)N2CCOCC2)n1
InChIInChI=1S/C18H24N6O3/c1-13(2)11-16(25)19-15-6-4-3-5-14(15)18-20-22-24(21-18)12-17(26)23-7-9-27-10-8-23/h3-6,13H,7-12H2,1-2H3,(H,19,25)
InChIKeyRVGIDUOLMWLLOV-UHFFFAOYSA-N
XLogP1.18
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2-acetamidophenyl)tetrazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 3192798
4-fluoro-N-[2-[2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3229782
N-[2-[(2S)-butan-2-yl]phenyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350235
N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]pentanamide
CID 43813163
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 84603667
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 4968363
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide
CID 3192797
2-[[2-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]carbamoyl]benzoic acid
CID 5151774
4-tert-butyl-N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 3192792
2-[5-(2-chlorophenyl)tetrazol-2-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 7350524
N-(2-ethylphenyl)-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 859943

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide (CID 650637) is 3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide is CC(C)CC(=O)Nc1ccccc1-c1nnn(CC(=O)N2CCOCC2)n1.
What is the InChIKey of 3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide?
The InChIKey is RVGIDUOLMWLLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-13(2)11-16(25)19-15-6-4-3-5-14(15)18-20-22-24(21-18)12-17(26)23-7-9-27-10-8-23/h3-6,13H,7-12H2,1-2H3,(H,19,25).
What are the key properties of 3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide?
3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide has a molecular weight of 372.43 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-(2-morpholin-4-yl-2-oxoethyl)tetrazol-5-yl]phenyl]butanamide is sourced from PubChem (CID 650637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).