N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide

C15H18N4O3 — CID 122252725

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2nc(OC)nc(OC)n2)cc1
InChIInChI=1S/C15H18N4O3/c1-4-10-5-7-11(8-6-10)13(20)16-9-12-17-14(21-2)19-15(18-12)22-3/h5-8H,4,9H2,1-3H3,(H,16,20)
InChIKeyQKRDHCNOPHCTOT-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.38
Rot. Bonds6

About N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide (PubChem CID 122252725) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide
PubChem CID122252725
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2nc(OC)nc(OC)n2)cc1
InChIInChI=1S/C15H18N4O3/c1-4-10-5-7-11(8-6-10)13(20)16-9-12-17-14(21-2)19-15(18-12)22-3/h5-8H,4,9H2,1-3H3,(H,16,20)
InChIKeyQKRDHCNOPHCTOT-UHFFFAOYSA-N
XLogP1.38
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253401
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
4-ethyl-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598851
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122253828
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
CID 71822308
ethane;4-ethyl-N-propylbenzamide
CID 142831348
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396
4-ethyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110902443
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 18428800
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide (CID 122252725) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide is CCc1ccc(C(=O)NCc2nc(OC)nc(OC)n2)cc1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide?
The InChIKey is QKRDHCNOPHCTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-4-10-5-7-11(8-6-10)13(20)16-9-12-17-14(21-2)19-15(18-12)22-3/h5-8H,4,9H2,1-3H3,(H,16,20).
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide has a molecular weight of 302.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-ethylbenzamide is sourced from PubChem (CID 122252725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).