1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea

C21H29N3O — CID 78880258

IUPAC1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
SMILESCN(C)CC(NC(=O)NCC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N3O/c1-21(2,18-13-9-6-10-14-18)16-22-20(25)23-19(15-24(3)4)17-11-7-5-8-12-17/h5-14,19H,15-16H2,1-4H3,(H2,22,23,25)
InChIKeyAZYBOUWRCWMLIW-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.57
Rot. Bonds7

About 1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea

1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea (PubChem CID 78880258) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
PubChem CID78880258
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
SMILESCN(C)CC(NC(=O)NCC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29N3O/c1-21(2,18-13-9-6-10-14-18)16-22-20(25)23-19(15-24(3)4)17-11-7-5-8-12-17/h5-14,19H,15-16H2,1-4H3,(H2,22,23,25)
InChIKeyAZYBOUWRCWMLIW-UHFFFAOYSA-N
XLogP3.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110894926
1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 78860899
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
1-methyl-3-(2-methyl-2-phenylpropyl)urea
CID 47166668
1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 86994324
1-benzyl-3-(2-methyl-2-phenylpropyl)urea
CID 38887064
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)urea
CID 110459934
(2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide
CID 71855133
N-[2-(dimethylamino)-1-phenylethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958162
3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide
CID 86994360
1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 78886107
1-[2-(dimethylamino)-1-phenylethyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 86994311

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea (CID 78880258) is 1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea is CN(C)CC(NC(=O)NCC(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea?
The InChIKey is AZYBOUWRCWMLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-21(2,18-13-9-6-10-14-18)16-22-20(25)23-19(15-24(3)4)17-11-7-5-8-12-17/h5-14,19H,15-16H2,1-4H3,(H2,22,23,25).
What are the key properties of 1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea?
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea has a molecular weight of 339.48 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea is sourced from PubChem (CID 78880258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).