N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide

C18H28N2O2 — CID 110620399

IUPACN-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide
SMILESCCN(CC)C(C)CNC(=O)CCC(=O)c1ccccc1C
InChIInChI=1S/C18H28N2O2/c1-5-20(6-2)15(4)13-19-18(22)12-11-17(21)16-10-8-7-9-14(16)3/h7-10,15H,5-6,11-13H2,1-4H3,(H,19,22)
InChIKeySSOAVQRAUKFBLW-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.80
Rot. Bonds9

About N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide

N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide (PubChem CID 110620399) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide
PubChem CID110620399
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide
SMILESCCN(CC)C(C)CNC(=O)CCC(=O)c1ccccc1C
InChIInChI=1S/C18H28N2O2/c1-5-20(6-2)15(4)13-19-18(22)12-11-17(21)16-10-8-7-9-14(16)3/h7-10,15H,5-6,11-13H2,1-4H3,(H,19,22)
InChIKeySSOAVQRAUKFBLW-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone
CID 43795126
N-[2-(diethylamino)-2-phenylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110622036
N-[2-(diethylamino)propyl]-5-phenylpentanamide
CID 110301504
N-[2-(diethylamino)propyl]-4-methyl-4-phenylpentanamide
CID 110353171
N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110301508
N-[2-(diethylamino)propyl]-3,3-diphenylpropanamide
CID 112502151
5-methyl-1-(2-methylphenyl)hexane-1,4-dione
CID 58283906
N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110620398
4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide
CID 110620401
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-4-(2-fluorophenyl)-4-oxobutanamide
CID 110621995
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone
CID 103189902
4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110606798

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide (CID 110620399) is N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide is CCN(CC)C(C)CNC(=O)CCC(=O)c1ccccc1C.
What is the InChIKey of N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide?
The InChIKey is SSOAVQRAUKFBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-20(6-2)15(4)13-19-18(22)12-11-17(21)16-10-8-7-9-14(16)3/h7-10,15H,5-6,11-13H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide?
N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide has a molecular weight of 304.43 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 110620399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).