3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea

C22H30N2O — CID 142476552

IUPAC3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea
SMILESCCCc1cccc(CCC)c1NC(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C22H30N2O/c1-5-11-19-15-10-16-20(12-6-2)21(19)23-22(25)24(4)17(3)18-13-8-7-9-14-18/h7-10,13-17H,5-6,11-12H2,1-4H3,(H,23,25)
InChIKeyNCOSBPBGDKMZBX-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.82
Rot. Bonds7

About 3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea

3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea (PubChem CID 142476552) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea.

Molecular Properties

Compound Name3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea
PubChem CID142476552
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea
SMILESCCCc1cccc(CCC)c1NC(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C22H30N2O/c1-5-11-19-15-10-16-20(12-6-2)21(19)23-22(25)24(4)17(3)18-13-8-7-9-14-18/h7-10,13-17H,5-6,11-12H2,1-4H3,(H,23,25)
InChIKeyNCOSBPBGDKMZBX-UHFFFAOYSA-N
XLogP5.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyl-1-methyl-1-(1-phenylethyl)urea
CID 102439407
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066
1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
CID 86914055
3-(2,6-diethylphenyl)-1-methyl-1-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99697996
methyl(1-phenylethyl)carbamic acid
CID 67062794
(2S)-2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 107566911
3-(2,6-dimethylphenyl)-1-methyl-1-[1-[3-[3-[[methyl(1-phenylethyl)carbamoyl]amino]-2,4-di(propan-2-yl)phenyl]phenyl]ethyl]urea
CID 164544486
1-methyl-1-[(1R)-1-phenylethyl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 51945486
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
3-[2,6-di(propan-2-yl)phenyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95239166
2-[(2,6-diethylphenyl)carbamoyl-methylamino]acetic acid
CID 43318386
3-amino-2-methyl-3-phenyl-N-(2-propylphenyl)propanamide
CID 119705368

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea?
The IUPAC name of 3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea (CID 142476552) is 3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea.
What is the SMILES notation for 3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea?
The canonical SMILES for 3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea is CCCc1cccc(CCC)c1NC(=O)N(C)C(C)c1ccccc1.
What is the InChIKey of 3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea?
The InChIKey is NCOSBPBGDKMZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-5-11-19-15-10-16-20(12-6-2)21(19)23-22(25)24(4)17(3)18-13-8-7-9-14-18/h7-10,13-17H,5-6,11-12H2,1-4H3,(H,23,25).
What are the key properties of 3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea?
3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea has a molecular weight of 338.50 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dipropylphenyl)-1-methyl-1-(1-phenylethyl)urea is sourced from PubChem (CID 142476552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).