1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea

C19H24N2O2 — CID 3391401

IUPAC1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
SMILESCc1cccc(C)c1OCC(C)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14-8-7-9-15(2)18(14)23-13-16(3)21-19(22)20-12-17-10-5-4-6-11-17/h4-11,16H,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyOHFRNRHPOXSOET-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.57
Rot. Bonds6

About 1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea

1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea (PubChem CID 3391401) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
PubChem CID3391401
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
SMILESCc1cccc(C)c1OCC(C)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14-8-7-9-15(2)18(14)23-13-16(3)21-19(22)20-12-17-10-5-4-6-11-17/h4-11,16H,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyOHFRNRHPOXSOET-UHFFFAOYSA-N
XLogP3.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 96830775
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 164614215
1-benzyl-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94035272
1-benzyl-3-butan-2-ylurea
CID 10512480
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(4-propan-2-ylphenyl)urea
CID 3871734
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3839296
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
1-(2-tert-butyl-6-methylphenyl)-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3820122
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975441
1-(4-amino-4-sulfanylidenebutan-2-yl)-3-benzylurea
CID 107653534

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea?
The IUPAC name of 1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea (CID 3391401) is 1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea.
What is the SMILES notation for 1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea?
The canonical SMILES for 1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea is Cc1cccc(C)c1OCC(C)NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea?
The InChIKey is OHFRNRHPOXSOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-8-7-9-15(2)18(14)23-13-16(3)21-19(22)20-12-17-10-5-4-6-11-17/h4-11,16H,12-13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea?
1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea has a molecular weight of 312.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea is sourced from PubChem (CID 3391401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).