2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid

C16H24N2O3 — CID 105345821

IUPAC2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
SMILESCCN(CC)C(=O)CN(C)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-4-18(5-2)15(19)12-17(3)11-14-8-6-13(7-9-14)10-16(20)21/h6-9H,4-5,10-12H2,1-3H3,(H,20,21)
InChIKeyVPWDLSFWDPJBRD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.61
Rot. Bonds8

About 2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid

2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid (PubChem CID 105345821) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
PubChem CID105345821
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
SMILESCCN(CC)C(=O)CN(C)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-4-18(5-2)15(19)12-17(3)11-14-8-6-13(7-9-14)10-16(20)21/h6-9H,4-5,10-12H2,1-3H3,(H,20,21)
InChIKeyVPWDLSFWDPJBRD-UHFFFAOYSA-N
XLogP1.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345673
N,N-diethyl-2-[(4-hydroxyphenyl)methyl-methylamino]acetamide
CID 82973362
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 115462716
4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]-N-phenylbenzamide
CID 8692819
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-methylamino]-N,N-diethylacetamide
CID 107878250
2-[4-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl]acetic acid
CID 105345888
2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]acetic acid
CID 105345659
3-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]thiophene-2-carboxylic acid
CID 55245326
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60694428
N,N-diethyl-2-[methyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]acetamide
CID 62207561
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N,N-diethylacetamide
CID 54939161
2-[(3-cyano-4-fluorophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 103758312

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid (CID 105345821) is 2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid is CCN(CC)C(=O)CN(C)Cc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid?
The InChIKey is VPWDLSFWDPJBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18(5-2)15(19)12-17(3)11-14-8-6-13(7-9-14)10-16(20)21/h6-9H,4-5,10-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid?
2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 105345821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).