1-(1,2-diphenylethyl)-3-methylurea

C16H18N2O — CID 23548551

IUPAC1-(1,2-diphenylethyl)-3-methylurea
SMILESCNC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-17-16(19)18-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H2,17,18,19)
InChIKeySDTLSVLCOYSZMV-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.90
Rot. Bonds4

About 1-(1,2-diphenylethyl)-3-methylurea

1-(1,2-diphenylethyl)-3-methylurea (PubChem CID 23548551) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(1,2-diphenylethyl)-3-methylurea.

Molecular Properties

Compound Name1-(1,2-diphenylethyl)-3-methylurea
PubChem CID23548551
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(1,2-diphenylethyl)-3-methylurea
SMILESCNC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O/c1-17-16(19)18-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H2,17,18,19)
InChIKeySDTLSVLCOYSZMV-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
1,2-diphenylethylurea
CID 2853470
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
1-[(1S)-1,2-diphenylethyl]-3-prop-2-ynylurea
CID 36512732
N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide
CID 21419374
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
N-(1,2-diphenylethyl)pentanamide
CID 134014505
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199
1-benzhydryl-3-(2,6-diethylphenyl)urea;1-(2,6-diethylphenyl)-3-(1,2-diphenylethyl)urea
CID 158758745
2-amino-N-(1,2-diphenylethyl)pentanamide;hydrochloride
CID 119271471
(2S)-N-[(1S)-1,2-diphenylethyl]-2-methyl-3-methylsulfonylpropanamide
CID 95786472

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylethyl)-3-methylurea?
The IUPAC name of 1-(1,2-diphenylethyl)-3-methylurea (CID 23548551) is 1-(1,2-diphenylethyl)-3-methylurea.
What is the SMILES notation for 1-(1,2-diphenylethyl)-3-methylurea?
The canonical SMILES for 1-(1,2-diphenylethyl)-3-methylurea is CNC(=O)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1,2-diphenylethyl)-3-methylurea?
The InChIKey is SDTLSVLCOYSZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-17-16(19)18-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11,15H,12H2,1H3,(H2,17,18,19).
What are the key properties of 1-(1,2-diphenylethyl)-3-methylurea?
1-(1,2-diphenylethyl)-3-methylurea has a molecular weight of 254.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylethyl)-3-methylurea is sourced from PubChem (CID 23548551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).