N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide

C18H25N5O2 — CID 21349455

IUPACN-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(C)COCc2ccccc2C)n1
InChIInChI=1S/C18H25N5O2/c1-5-16(24)22-18-21-14(4)20-17(23-18)19-13(3)10-25-11-15-9-7-6-8-12(15)2/h6-9,13H,5,10-11H2,1-4H3,(H2,19,20,21,22,23,24)
InChIKeyOIQVDXASSOROGG-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.85
Rot. Bonds8

About N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide

N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide (PubChem CID 21349455) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide
PubChem CID21349455
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(C)COCc2ccccc2C)n1
InChIInChI=1S/C18H25N5O2/c1-5-16(24)22-18-21-14(4)20-17(23-18)19-13(3)10-25-11-15-9-7-6-8-12(15)2/h6-9,13H,5,10-11H2,1-4H3,(H2,19,20,21,22,23,24)
InChIKeyOIQVDXASSOROGG-UHFFFAOYSA-N
XLogP2.85
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide with MolForge

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Related Compounds

methyl 3-[2-[[4-methyl-6-(propanoylamino)-1,3,5-triazin-2-yl]amino]propoxymethyl]benzoate
CID 21349345
N-[4-methyl-6-[1-(3-methylthiophen-2-yl)ethylamino]-1,3,5-triazin-2-yl]propanamide
CID 59874284
N-[4-methyl-6-[1-[(4-nitrophenyl)methoxy]butan-2-ylamino]-1,3,5-triazin-2-yl]propanamide
CID 21349422
N-[4-[4-(4-chlorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 22090983
N-[4-[1-(5-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874359
methyl 2-[2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]butoxymethyl]benzoate
CID 21349336
2-ethoxy-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 61063462
(2S)-3-methyl-1-[(2-methylphenyl)methoxy]pentan-2-amine
CID 112500895
N-[4-[1-(4-bromothiophen-2-yl)propylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874334
N-[4-[1-(furan-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 59874367
N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide
CID 70181647
2-(2-methylphenyl)-N-(2,2,4-trimethylhexan-3-yl)acetamide
CID 58709449

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide (CID 21349455) is N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(C)nc(NC(C)COCc2ccccc2C)n1.
What is the InChIKey of N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide?
The InChIKey is OIQVDXASSOROGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-5-16(24)22-18-21-14(4)20-17(23-18)19-13(3)10-25-11-15-9-7-6-8-12(15)2/h6-9,13H,5,10-11H2,1-4H3,(H2,19,20,21,22,23,24).
What are the key properties of N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide?
N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-[1-[(2-methylphenyl)methoxy]propan-2-ylamino]-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 21349455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).