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

C18H30N6O3 — CID 29124427

IUPACN-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(Cn1nnnc1CN1CCOCC1)N(CC1CCC1)C[C@H]1CCCO1
InChIInChI=1S/C18H30N6O3/c25-18(23(11-15-3-1-4-15)12-16-5-2-8-27-16)14-24-17(19-20-21-24)13-22-6-9-26-10-7-22/h15-16H,1-14H2/t16-/m1/s1
InChIKeyGTUFEIRHXIWUED-MRXNPFEDSA-N
MW378.48 g/mol
LogP0.31
Rot. Bonds8

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

N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 29124427) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID29124427
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC NameN-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(Cn1nnnc1CN1CCOCC1)N(CC1CCC1)C[C@H]1CCCO1
InChIInChI=1S/C18H30N6O3/c25-18(23(11-15-3-1-4-15)12-16-5-2-8-27-16)14-24-17(19-20-21-24)13-22-6-9-26-10-7-22/h15-16H,1-14H2/t16-/m1/s1
InChIKeyGTUFEIRHXIWUED-MRXNPFEDSA-N
XLogP0.31
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 29124427) is N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(Cn1nnnc1CN1CCOCC1)N(CC1CCC1)C[C@H]1CCCO1.
What is the InChIKey of N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is GTUFEIRHXIWUED-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N6O3/c25-18(23(11-15-3-1-4-15)12-16-5-2-8-27-16)14-24-17(19-20-21-24)13-22-6-9-26-10-7-22/h15-16H,1-14H2/t16-/m1/s1.
What are the key properties of N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 0.31, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 29124427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).