1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea

C17H25N7O2 — CID 55698753

IUPAC1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
SMILESCn1nnnc1-c1cccc(NC(=O)NCC(C)(C)N2CCOCC2)c1
InChIInChI=1S/C17H25N7O2/c1-17(2,24-7-9-26-10-8-24)12-18-16(25)19-14-6-4-5-13(11-14)15-20-21-22-23(15)3/h4-6,11H,7-10,12H2,1-3H3,(H2,18,19,25)
InChIKeyNPEHXQLSKDMMSX-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.11
Rot. Bonds5

About 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea

1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea (PubChem CID 55698753) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
PubChem CID55698753
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
SMILESCn1nnnc1-c1cccc(NC(=O)NCC(C)(C)N2CCOCC2)c1
InChIInChI=1S/C17H25N7O2/c1-17(2,24-7-9-26-10-8-24)12-18-16(25)19-14-6-4-5-13(11-14)15-20-21-22-23(15)3/h4-6,11H,7-10,12H2,1-3H3,(H2,18,19,25)
InChIKeyNPEHXQLSKDMMSX-UHFFFAOYSA-N
XLogP1.11
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea?
The IUPAC name of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea (CID 55698753) is 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea is Cn1nnnc1-c1cccc(NC(=O)NCC(C)(C)N2CCOCC2)c1.
What is the InChIKey of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea?
The InChIKey is NPEHXQLSKDMMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-17(2,24-7-9-26-10-8-24)12-18-16(25)19-14-6-4-5-13(11-14)15-20-21-22-23(15)3/h4-6,11H,7-10,12H2,1-3H3,(H2,18,19,25).
What are the key properties of 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea?
1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea has a molecular weight of 359.43 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea is sourced from PubChem (CID 55698753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).