N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide

C16H20N6O2 — CID 119699654

IUPACN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C16H20N6O2/c23-15(9-14-10-17-6-7-24-14)18-12-3-1-2-11(8-12)16-19-20-21-22(16)13-4-5-13/h1-3,8,13-14,17H,4-7,9-10H2,(H,18,23)
InChIKeyPOYFKPDIXSGGCZ-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.99
Rot. Bonds5

About N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide (PubChem CID 119699654) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide
PubChem CID119699654
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide
SMILESO=C(CC1CNCCO1)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C16H20N6O2/c23-15(9-14-10-17-6-7-24-14)18-12-3-1-2-11(8-12)16-19-20-21-22(16)13-4-5-13/h1-3,8,13-14,17H,4-7,9-10H2,(H,18,23)
InChIKeyPOYFKPDIXSGGCZ-UHFFFAOYSA-N
XLogP0.99
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide?
The IUPAC name of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide (CID 119699654) is N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide?
The canonical SMILES for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide is O=C(CC1CNCCO1)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide?
The InChIKey is POYFKPDIXSGGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-15(9-14-10-17-6-7-24-14)18-12-3-1-2-11(8-12)16-19-20-21-22(16)13-4-5-13/h1-3,8,13-14,17H,4-7,9-10H2,(H,18,23).
What are the key properties of N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide?
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide has a molecular weight of 328.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-morpholin-2-ylacetamide is sourced from PubChem (CID 119699654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).