propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate

C19H27N5O3 — CID 51227103

IUPACpropan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate
SMILESCC(C)OC(=O)c1cccc(-c2nnn(CC(=O)N(C(C)C)C(C)C)n2)c1
InChIInChI=1S/C19H27N5O3/c1-12(2)24(13(3)4)17(25)11-23-21-18(20-22-23)15-8-7-9-16(10-15)19(26)27-14(5)6/h7-10,12-14H,11H2,1-6H3
InChIKeyCMLNWWPVMMJSLH-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.55
Rot. Bonds7

About propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate

propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate (PubChem CID 51227103) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate
PubChem CID51227103
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Namepropan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate
SMILESCC(C)OC(=O)c1cccc(-c2nnn(CC(=O)N(C(C)C)C(C)C)n2)c1
InChIInChI=1S/C19H27N5O3/c1-12(2)24(13(3)4)17(25)11-23-21-18(20-22-23)15-8-7-9-16(10-15)19(26)27-14(5)6/h7-10,12-14H,11H2,1-6H3
InChIKeyCMLNWWPVMMJSLH-UHFFFAOYSA-N
XLogP2.55
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate?
The IUPAC name of propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate (CID 51227103) is propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate.
What is the SMILES notation for propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate?
The canonical SMILES for propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate is CC(C)OC(=O)c1cccc(-c2nnn(CC(=O)N(C(C)C)C(C)C)n2)c1.
What is the InChIKey of propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate?
The InChIKey is CMLNWWPVMMJSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-12(2)24(13(3)4)17(25)11-23-21-18(20-22-23)15-8-7-9-16(10-15)19(26)27-14(5)6/h7-10,12-14H,11H2,1-6H3.
What are the key properties of propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate?
propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate has a molecular weight of 373.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[2-[2-[di(propan-2-yl)amino]-2-oxoethyl]tetrazol-5-yl]benzoate is sourced from PubChem (CID 51227103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).