4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide

C22H29N3O2 — CID 18167149

IUPAC4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(CNC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-4-25(5-2)21(19-9-7-6-8-10-19)16-24-22(27)20-13-11-18(12-14-20)15-23-17(3)26/h6-14,21H,4-5,15-16H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyGDFLIYLIULGWLE-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.14
Rot. Bonds9

About 4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide

4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide (PubChem CID 18167149) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
PubChem CID18167149
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(CNC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-4-25(5-2)21(19-9-7-6-8-10-19)16-24-22(27)20-13-11-18(12-14-20)15-23-17(3)26/h6-14,21H,4-5,15-16H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyGDFLIYLIULGWLE-UHFFFAOYSA-N
XLogP3.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
CID 18167081
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174
4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 31331095
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9369212
N-[(2R)-2-(diethylamino)-2-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 52524579
N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 18167141
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
4-[[[2-(diethylamino)-2-phenylacetyl]amino]methyl]benzoic acid
CID 119353551
4-(acetamidomethyl)-N-(1,1-diphenylpropan-2-yl)benzamide
CID 134054915
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
CID 46446887

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide (CID 18167149) is 4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide is CCN(CC)C(CNC(=O)c1ccc(CNC(C)=O)cc1)c1ccccc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide?
The InChIKey is GDFLIYLIULGWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-25(5-2)21(19-9-7-6-8-10-19)16-24-22(27)20-13-11-18(12-14-20)15-23-17(3)26/h6-14,21H,4-5,15-16H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide?
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide is sourced from PubChem (CID 18167149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).