1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea

C20H27N3O — CID 86993436

IUPAC1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1C(C)NC(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-15-10-8-9-13-18(15)16(2)21-20(24)22-19(14-23(3)4)17-11-6-5-7-12-17/h5-13,16,19H,14H2,1-4H3,(H2,21,22,24)
InChIKeyHCWSJACZSNLWAV-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.66
Rot. Bonds6

About 1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea

1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea (PubChem CID 86993436) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea
PubChem CID86993436
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1C(C)NC(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-15-10-8-9-13-18(15)16(2)21-20(24)22-19(14-23(3)4)17-11-6-5-7-12-17/h5-13,16,19H,14H2,1-4H3,(H2,21,22,24)
InChIKeyHCWSJACZSNLWAV-UHFFFAOYSA-N
XLogP3.66
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 78881674
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
3-acetamido-N-[1-(2-methylphenyl)ethyl]-3-phenylpropanamide
CID 78776290
N-[2-(dimethylamino)-1-phenylethyl]-2,3-dimethylbenzamide
CID 78819640
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840
1-[2-(dimethylamino)-1-phenylethyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 78880248
1-[1-(2,3-difluorophenyl)ethyl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75517893
2-hydroxy-3-[1-(2-methylphenyl)ethylcarbamoylamino]propanoic acid
CID 66167363
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
N-[2-(dimethylamino)-1-phenylethyl]-3-methylthiophene-2-carboxamide
CID 86909665
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895795
1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 86994324

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea (CID 86993436) is 1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea is Cc1ccccc1C(C)NC(=O)NC(CN(C)C)c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea?
The InChIKey is HCWSJACZSNLWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15-10-8-9-13-18(15)16(2)21-20(24)22-19(14-23(3)4)17-11-6-5-7-12-17/h5-13,16,19H,14H2,1-4H3,(H2,21,22,24).
What are the key properties of 1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea?
1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea has a molecular weight of 325.46 g/mol, XLogP of 3.66, 6 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-[1-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 86993436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).