N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide

C18H24N4O — CID 135102058

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CN(C)Cc2cnccn2)c1
InChIInChI=1S/C18H24N4O/c1-13-5-6-14(2)17(9-13)15(3)21-18(23)12-22(4)11-16-10-19-7-8-20-16/h5-10,15H,11-12H2,1-4H3,(H,21,23)
InChIKeyLCBLGSSSXKANCQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.40
Rot. Bonds6

About N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide

N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide (PubChem CID 135102058) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide
PubChem CID135102058
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CN(C)Cc2cnccn2)c1
InChIInChI=1S/C18H24N4O/c1-13-5-6-14(2)17(9-13)15(3)21-18(23)12-22(4)11-16-10-19-7-8-20-16/h5-10,15H,11-12H2,1-4H3,(H,21,23)
InChIKeyLCBLGSSSXKANCQ-UHFFFAOYSA-N
XLogP2.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide
CID 91843262
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 18197627
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 92663731
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 32564607
2-(2,5-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327488
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide
CID 81227397
2-[methyl(2-pyrazin-2-ylethyl)amino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 97255752
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 100526389
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327451
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30222782
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide (CID 135102058) is N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide is Cc1ccc(C)c(C(C)NC(=O)CN(C)Cc2cnccn2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide?
The InChIKey is LCBLGSSSXKANCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-5-6-14(2)17(9-13)15(3)21-18(23)12-22(4)11-16-10-19-7-8-20-16/h5-10,15H,11-12H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide has a molecular weight of 312.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 135102058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).