3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one

C19H25N3O — CID 46231507

IUPAC3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one
SMILESCCc1nccnc1C(=O)CCN(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H25N3O/c1-4-17-19(21-12-11-20-17)18(23)10-13-22(15(2)3)14-16-8-6-5-7-9-16/h5-9,11-12,15H,4,10,13-14H2,1-3H3
InChIKeyXYKGMURZSWHOIZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.52
Rot. Bonds8

About 3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one

3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one (PubChem CID 46231507) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one
PubChem CID46231507
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one
SMILESCCc1nccnc1C(=O)CCN(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H25N3O/c1-4-17-19(21-12-11-20-17)18(23)10-13-22(15(2)3)14-16-8-6-5-7-9-16/h5-9,11-12,15H,4,10,13-14H2,1-3H3
InChIKeyXYKGMURZSWHOIZ-UHFFFAOYSA-N
XLogP3.52
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[propan-2-yl(pyridin-4-ylmethyl)amino]propanoic acid
CID 60840331
tert-butyl 3-[benzyl(propan-2-yl)amino]propanoate
CID 115590839
1-(1-benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one
CID 46232151
3-[(2-ethylphenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057399
N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 109031834
3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017239
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832
4-[propan-2-yl(pyridin-4-ylmethyl)amino]butanoic acid
CID 60833614
2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine
CID 104739694
2-[[benzyl(propan-2-yl)amino]methyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 94970822
3-[benzyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980299

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one (CID 46231507) is 3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one is CCc1nccnc1C(=O)CCN(Cc1ccccc1)C(C)C.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one?
The InChIKey is XYKGMURZSWHOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-17-19(21-12-11-20-17)18(23)10-13-22(15(2)3)14-16-8-6-5-7-9-16/h5-9,11-12,15H,4,10,13-14H2,1-3H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one?
3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one has a molecular weight of 311.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-(3-ethylpyrazin-2-yl)propan-1-one is sourced from PubChem (CID 46231507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).