N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide

C20H34N6O3 — CID 45221297

IUPACN-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCn1nnnc1CN1CCOCC1)N(CC1CCC1)CC1CCCO1
InChIInChI=1S/C20H34N6O3/c27-20(25(14-17-4-1-5-17)15-18-6-3-11-29-18)7-2-8-26-19(21-22-23-26)16-24-9-12-28-13-10-24/h17-18H,1-16H2
InChIKeyBHKKPVRUFVTEFC-UHFFFAOYSA-N
MW406.53 g/mol
LogP1.09
Rot. Bonds10

About N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide

N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 45221297) has the molecular formula C20H34N6O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide
PubChem CID45221297
Molecular FormulaC20H34N6O3
Molecular Weight406.53 g/mol
Exact Mass406.27
IUPAC NameN-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCn1nnnc1CN1CCOCC1)N(CC1CCC1)CC1CCCO1
InChIInChI=1S/C20H34N6O3/c27-20(25(14-17-4-1-5-17)15-18-6-3-11-29-18)7-2-8-26-19(21-22-23-26)16-24-9-12-28-13-10-24/h17-18H,1-16H2
InChIKeyBHKKPVRUFVTEFC-UHFFFAOYSA-N
XLogP1.09
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[[(2S)-oxan-2-yl]methyl]butanamide
CID 25382967
N-ethyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(2-pyrazol-1-ylethyl)butanamide
CID 29258468
1-(4-cyclohexyl-1,4-diazepan-1-yl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 25379471
1-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 97277818
4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 24819328
1-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine
CID 861301
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
CID 26315001
ethyl (2S)-1-[3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanoyl]piperidine-2-carboxylate
CID 25382715
4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]butan-1-one
CID 28685441
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 45199802
N-(3-hydroxy-3-phenylpropyl)-N-methyl-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
CID 45215800
1-(3-ethyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 134086485

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide (CID 45221297) is N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide is O=C(CCCn1nnnc1CN1CCOCC1)N(CC1CCC1)CC1CCCO1.
What is the InChIKey of N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is BHKKPVRUFVTEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O3/c27-20(25(14-17-4-1-5-17)15-18-6-3-11-29-18)7-2-8-26-19(21-22-23-26)16-24-9-12-28-13-10-24/h17-18H,1-16H2.
What are the key properties of N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide?
N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 406.53 g/mol, XLogP of 1.09, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 45221297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).