3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide

C20H26N4O2 — CID 86994360

IUPAC3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)NC(CN(C)C)c2ccccc2)c1
InChIInChI=1S/C20H26N4O2/c1-21-19(25)17-11-7-8-15(12-17)13-22-20(26)23-18(14-24(2)3)16-9-5-4-6-10-16/h4-12,18H,13-14H2,1-3H3,(H,21,25)(H2,22,23,26)
InChIKeyOIQACOXJJSUCQZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.15
Rot. Bonds7

About 3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide

3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide (PubChem CID 86994360) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide
PubChem CID86994360
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)NC(CN(C)C)c2ccccc2)c1
InChIInChI=1S/C20H26N4O2/c1-21-19(25)17-11-7-8-15(12-17)13-22-20(26)23-18(14-24(2)3)16-9-5-4-6-10-16/h4-12,18H,13-14H2,1-3H3,(H,21,25)(H2,22,23,26)
InChIKeyOIQACOXJJSUCQZ-UHFFFAOYSA-N
XLogP2.15
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 86994324
1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea
CID 78880262
N-methyl-3-[(2-phenylbutanoylamino)methyl]benzamide
CID 46592660
3-[[[(benzylamino)-(dimethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058875
3-[[benzoyl(methyl)amino]methyl]-N-methylbenzamide
CID 170263663
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-methylbenzamide;hydroiodide
CID 110952739
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[(3-methylphenyl)methyl]urea
CID 111454309
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
CID 78880258
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 119719988
3-[[[3-(benzylamino)-3-oxopropyl]carbamothioylamino]methyl]-N-methylbenzamide
CID 16664467
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide (CID 86994360) is 3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CNC(=O)NC(CN(C)C)c2ccccc2)c1.
What is the InChIKey of 3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide?
The InChIKey is OIQACOXJJSUCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-21-19(25)17-11-7-8-15(12-17)13-22-20(26)23-18(14-24(2)3)16-9-5-4-6-10-16/h4-12,18H,13-14H2,1-3H3,(H,21,25)(H2,22,23,26).
What are the key properties of 3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide?
3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 86994360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).