4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid

C20H24N2O3 — CID 119353551

IUPAC4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid
SMILESCCN(CC)C(C(=O)NCc1ccc(C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-22(4-2)18(16-8-6-5-7-9-16)19(23)21-14-15-10-12-17(13-11-15)20(24)25/h5-13,18H,3-4,14H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyLLASUOHSKYQYGU-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.08
Rot. Bonds8

About 4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid

4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid (PubChem CID 119353551) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid
PubChem CID119353551
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid
SMILESCCN(CC)C(C(=O)NCc1ccc(C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-22(4-2)18(16-8-6-5-7-9-16)19(23)21-14-15-10-12-17(13-11-15)20(24)25/h5-13,18H,3-4,14H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyLLASUOHSKYQYGU-UHFFFAOYSA-N
XLogP3.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 56538273
(2R)-2-(diethylamino)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 95151104
2-(diethylamino)-N-[(3-methoxy-4-methylphenyl)methyl]-2-phenylacetamide
CID 56552650
N-[(4-chlorophenyl)methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 71933759
2-(diethylamino)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-phenylacetamide
CID 56552524
2-(diethylamino)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 56540663
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149
2-(diethylamino)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56538597
4-[[[2-ethyl-2-(1-phenylethylamino)butyl]carbamoylamino]methyl]benzoic acid
CID 122002061
4-[(2-phenoxybutanoylamino)methyl]benzoic acid
CID 17171934
4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]benzoic acid
CID 119353542
2-(diethylamino)-2-phenyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 56538633

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid (CID 119353551) is 4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid is CCN(CC)C(C(=O)NCc1ccc(C(=O)O)cc1)c1ccccc1.
What is the InChIKey of 4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid?
The InChIKey is LLASUOHSKYQYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-22(4-2)18(16-8-6-5-7-9-16)19(23)21-14-15-10-12-17(13-11-15)20(24)25/h5-13,18H,3-4,14H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid?
4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid has a molecular weight of 340.42 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid is sourced from PubChem (CID 119353551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).