1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea

C15H24N2O2 — CID 48718367

IUPAC1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NCCc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O2/c1-4-14(10-18)17-15(19)16-8-7-13-6-5-11(2)9-12(13)3/h5-6,9,14,18H,4,7-8,10H2,1-3H3,(H2,16,17,19)
InChIKeyYNARREJZENGSPR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.92
Rot. Bonds6

About 1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea

1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 48718367) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID48718367
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NCCc1ccc(C)cc1C
InChIInChI=1S/C15H24N2O2/c1-4-14(10-18)17-15(19)16-8-7-13-6-5-11(2)9-12(13)3/h5-6,9,14,18H,4,7-8,10H2,1-3H3,(H2,16,17,19)
InChIKeyYNARREJZENGSPR-UHFFFAOYSA-N
XLogP1.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 60590409
1-[2-(2,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775694
1-[(2,4-dimethylphenoxy)methyl]-3-(1-hydroxybutan-2-yl)urea
CID 108870738
1-[[4-(dimethylamino)-2-methylphenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 111414572
1-(1-hydroxybutan-2-yl)-3-(2-naphthalen-1-ylethyl)urea
CID 110892453
2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920089
1-(2,4-dimethylphenyl)-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 3766021
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
1-[2-(4-bromophenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 108902377
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753
1-[2-(2,4-dimethylphenyl)ethyl]-3-(3-ethylphenyl)urea
CID 3831940
1-[2-(2,4-dimethylphenyl)ethyl]-3-[(1R)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 52520681

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea (CID 48718367) is 1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)NCCc1ccc(C)cc1C.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is YNARREJZENGSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-14(10-18)17-15(19)16-8-7-13-6-5-11(2)9-12(13)3/h5-6,9,14,18H,4,7-8,10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 264.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 48718367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).