N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide

C20H26N8O2 — CID 126425349

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
SMILESCc1cnc(CN(C)C(=O)Cn2nnnc2[C@H](c2ccccc2)N2CCOCC2)[nH]1
InChIInChI=1S/C20H26N8O2/c1-15-12-21-17(22-15)13-26(2)18(29)14-28-20(23-24-25-28)19(16-6-4-3-5-7-16)27-8-10-30-11-9-27/h3-7,12,19H,8-11,13-14H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyLVWQUWSUYZMURD-IBGZPJMESA-N
MW410.48 g/mol
LogP0.78
Rot. Bonds7

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide (PubChem CID 126425349) has the molecular formula C20H26N8O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
PubChem CID126425349
Molecular FormulaC20H26N8O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
SMILESCc1cnc(CN(C)C(=O)Cn2nnnc2[C@H](c2ccccc2)N2CCOCC2)[nH]1
InChIInChI=1S/C20H26N8O2/c1-15-12-21-17(22-15)13-26(2)18(29)14-28-20(23-24-25-28)19(16-6-4-3-5-7-16)27-8-10-30-11-9-27/h3-7,12,19H,8-11,13-14H2,1-2H3,(H,21,22)/t19-/m0/s1
InChIKeyLVWQUWSUYZMURD-IBGZPJMESA-N
XLogP0.78
TPSA105.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide
CID 86285524
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CID 86284396
N-[(5-methylpyrazin-2-yl)methyl]-2-[5-[(R)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide
CID 126448833
2-[5-[morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 119069503
4-[(S)-phenyl-[1-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]tetrazol-5-yl]methyl]morpholine
CID 95047119
4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride
CID 171668621
ethyl 4-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]benzoate
CID 7242064
4-[(1-benzyltetrazol-5-yl)-pyridin-4-ylmethyl]morpholine
CID 648580
4-[[1-(2-phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
1-[2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 70756872
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 90647609
4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
CID 53300936

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide (CID 126425349) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide is Cc1cnc(CN(C)C(=O)Cn2nnnc2[C@H](c2ccccc2)N2CCOCC2)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide?
The InChIKey is LVWQUWSUYZMURD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H26N8O2/c1-15-12-21-17(22-15)13-26(2)18(29)14-28-20(23-24-25-28)19(16-6-4-3-5-7-16)27-8-10-30-11-9-27/h3-7,12,19H,8-11,13-14H2,1-2H3,(H,21,22)/t19-/m0/s1.
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide has a molecular weight of 410.48 g/mol, XLogP of 0.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(S)-morpholin-4-yl(phenyl)methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 126425349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).