N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide

C18H23N5O2 — CID 71084700

IUPACN-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(Cc2nc(C)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H23N5O2/c1-12-4-5-16(21-14(3)24)10-15(12)11-17-19-13(2)20-18(22-17)23-6-8-25-9-7-23/h4-5,10H,6-9,11H2,1-3H3,(H,21,24)
InChIKeySLCKJEUJEPKDKM-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.87
Rot. Bonds4

About N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide

N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide (PubChem CID 71084700) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide
PubChem CID71084700
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(Cc2nc(C)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C18H23N5O2/c1-12-4-5-16(21-14(3)24)10-15(12)11-17-19-13(2)20-18(22-17)23-6-8-25-9-7-23/h4-5,10H,6-9,11H2,1-3H3,(H,21,24)
InChIKeySLCKJEUJEPKDKM-UHFFFAOYSA-N
XLogP1.87
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide (CID 71084700) is N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(C)c(Cc2nc(C)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide?
The InChIKey is SLCKJEUJEPKDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-4-5-16(21-14(3)24)10-15(12)11-17-19-13(2)20-18(22-17)23-6-8-25-9-7-23/h4-5,10H,6-9,11H2,1-3H3,(H,21,24).
What are the key properties of N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide?
N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 71084700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).