3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide

C17H27N3O2 — CID 113117546

IUPAC3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(CCN(C)C)C(C)=O
InChIInChI=1S/C17H27N3O2/c1-5-15-8-6-7-9-16(15)18-17(22)10-11-20(14(2)21)13-12-19(3)4/h6-9H,5,10-13H2,1-4H3,(H,18,22)
InChIKeyNJSBYSZAUHWACU-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.99
Rot. Bonds8

About 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide (PubChem CID 113117546) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
PubChem CID113117546
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(CCN(C)C)C(C)=O
InChIInChI=1S/C17H27N3O2/c1-5-15-8-6-7-9-16(15)18-17(22)10-11-20(14(2)21)13-12-19(3)4/h6-9H,5,10-13H2,1-4H3,(H,18,22)
InChIKeyNJSBYSZAUHWACU-UHFFFAOYSA-N
XLogP1.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117893
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
CID 113117534
3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
CID 113117158
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,6-diethylphenyl)propanamide
CID 113117900
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113117902
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide
CID 113117624
3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
CID 113127100
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 113117613
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide (CID 113117546) is 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCN(CCN(C)C)C(C)=O.
What is the InChIKey of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide?
The InChIKey is NJSBYSZAUHWACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-15-8-6-7-9-16(15)18-17(22)10-11-20(14(2)21)13-12-19(3)4/h6-9H,5,10-13H2,1-4H3,(H,18,22).
What are the key properties of 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide?
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 113117546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).