[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate

C25H32N6O4 — CID 122505964

IUPAC[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate
SMILESCCOCc1nnnn1-c1cc(OC(=O)NC(C)CN2CCOCC2)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C25H32N6O4/c1-4-33-17-24-27-28-29-31(24)22-13-21(20-7-5-18(2)6-8-20)14-23(15-22)35-25(32)26-19(3)16-30-9-11-34-12-10-30/h5-8,13-15,19H,4,9-12,16-17H2,1-3H3,(H,26,32)
InChIKeyZHMVWNPXVGENDS-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.98
Rot. Bonds9

About [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate

[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate (PubChem CID 122505964) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Name[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate
PubChem CID122505964
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC Name[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate
SMILESCCOCc1nnnn1-c1cc(OC(=O)NC(C)CN2CCOCC2)cc(-c2ccc(C)cc2)c1
InChIInChI=1S/C25H32N6O4/c1-4-33-17-24-27-28-29-31(24)22-13-21(20-7-5-18(2)6-8-20)14-23(15-22)35-25(32)26-19(3)16-30-9-11-34-12-10-30/h5-8,13-15,19H,4,9-12,16-17H2,1-3H3,(H,26,32)
InChIKeyZHMVWNPXVGENDS-UHFFFAOYSA-N
XLogP2.98
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate?
The IUPAC name of [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate (CID 122505964) is [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate.
What is the SMILES notation for [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate?
The canonical SMILES for [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate is CCOCc1nnnn1-c1cc(OC(=O)NC(C)CN2CCOCC2)cc(-c2ccc(C)cc2)c1.
What is the InChIKey of [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate?
The InChIKey is ZHMVWNPXVGENDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-4-33-17-24-27-28-29-31(24)22-13-21(20-7-5-18(2)6-8-20)14-23(15-22)35-25(32)26-19(3)16-30-9-11-34-12-10-30/h5-8,13-15,19H,4,9-12,16-17H2,1-3H3,(H,26,32).
What are the key properties of [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate?
[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate has a molecular weight of 480.57 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate is sourced from PubChem (CID 122505964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).