4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid

C16H24N2O3 — CID 43580032

IUPAC4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid
SMILESCCN(CC)Cc1ccc(CNC(=O)CCC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-3-18(4-2)12-14-7-5-13(6-8-14)11-17-15(19)9-10-16(20)21/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyHIKWVEYHWLLDJX-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.01
Rot. Bonds9

About 4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid

4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid (PubChem CID 43580032) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid
PubChem CID43580032
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid
SMILESCCN(CC)Cc1ccc(CNC(=O)CCC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-3-18(4-2)12-14-7-5-13(6-8-14)11-17-15(19)9-10-16(20)21/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyHIKWVEYHWLLDJX-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide
CID 113385133
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 61259556
N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46655947
4-[[4-(dimethylamino)phenyl]methylamino]-4-oxobutanoic acid
CID 54867572
2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 119835863
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide
CID 27332548
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31610326
4-[[4-(2-aminoethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 153379116
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990508
4-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20992977

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid (CID 43580032) is 4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid is CCN(CC)Cc1ccc(CNC(=O)CCC(=O)O)cc1.
What is the InChIKey of 4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid?
The InChIKey is HIKWVEYHWLLDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-18(4-2)12-14-7-5-13(6-8-14)11-17-15(19)9-10-16(20)21/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid?
4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 43580032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).