4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride

C19H26ClN5O3 — CID 3080150

IUPAC4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride
SMILESCCCc1nc(N2CCOCC2)nc(N(C)C(=O)c2ccc(OC)cc2)n1.Cl
InChIInChI=1S/C19H25N5O3.ClH/c1-4-5-16-20-18(22-19(21-16)24-10-12-27-13-11-24)23(2)17(25)14-6-8-15(26-3)9-7-14;/h6-9H,4-5,10-13H2,1-3H3;1H
InChIKeyVVARIKONFZSWML-UHFFFAOYSA-N
MW407.90 g/mol
LogP2.37
Rot. Bonds6

About 4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride

4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride (PubChem CID 3080150) has the molecular formula C19H26ClN5O3 and a molecular weight of 407.90 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride
PubChem CID3080150
Molecular FormulaC19H26ClN5O3
Molecular Weight407.90 g/mol
Exact Mass407.17
IUPAC Name4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride
SMILESCCCc1nc(N2CCOCC2)nc(N(C)C(=O)c2ccc(OC)cc2)n1.Cl
InChIInChI=1S/C19H25N5O3.ClH/c1-4-5-16-20-18(22-19(21-16)24-10-12-27-13-11-24)23(2)17(25)14-6-8-15(26-3)9-7-14;/h6-9H,4-5,10-13H2,1-3H3;1H
InChIKeyVVARIKONFZSWML-UHFFFAOYSA-N
XLogP2.37
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride (CID 3080150) is 4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride is CCCc1nc(N2CCOCC2)nc(N(C)C(=O)c2ccc(OC)cc2)n1.Cl.
What is the InChIKey of 4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride?
The InChIKey is VVARIKONFZSWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3.ClH/c1-4-5-16-20-18(22-19(21-16)24-10-12-27-13-11-24)23(2)17(25)14-6-8-15(26-3)9-7-14;/h6-9H,4-5,10-13H2,1-3H3;1H.
What are the key properties of 4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride?
4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 3080150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).