N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

C18H28N2O3 — CID 108796041

IUPACN-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCCN(CC)CCNC(=O)CCC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C18H28N2O3/c1-5-20(6-2)12-11-19-18(22)10-8-16(21)15-13-14(3)7-9-17(15)23-4/h7,9,13H,5-6,8,10-12H2,1-4H3,(H,19,22)
InChIKeyOGUMFBGAVRAACI-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.42
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (PubChem CID 108796041) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
PubChem CID108796041
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCCN(CC)CCNC(=O)CCC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C18H28N2O3/c1-5-20(6-2)12-11-19-18(22)10-8-16(21)15-13-14(3)7-9-17(15)23-4/h7,9,13H,5-6,8,10-12H2,1-4H3,(H,19,22)
InChIKeyOGUMFBGAVRAACI-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 108795993
N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795981
N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18104964
N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 2608525
1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18105952
N-(2,6-diethylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796003
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 108796059
N-[4-(dimethylamino)phenyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796073
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18107803
2-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 108795992
N-(3-chloro-4-methylphenyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795963

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (CID 108796041) is N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is CCN(CC)CCNC(=O)CCC(=O)c1cc(C)ccc1OC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The InChIKey is OGUMFBGAVRAACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-20(6-2)12-11-19-18(22)10-8-16(21)15-13-14(3)7-9-17(15)23-4/h7,9,13H,5-6,8,10-12H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide has a molecular weight of 320.43 g/mol, XLogP of 2.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 108796041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).