1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea

C15H24N2O2 — CID 111108490

IUPAC1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O2/c1-5-14(9-18)17-15(19)16-12(4)13-7-10(2)6-11(3)8-13/h6-8,12,14,18H,5,9H2,1-4H3,(H2,16,17,19)
InChIKeyAUERWTGPMYLOBZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.43
Rot. Bonds5

About 1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea

1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea (PubChem CID 111108490) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
PubChem CID111108490
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
SMILESCCC(CO)NC(=O)NC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C15H24N2O2/c1-5-14(9-18)17-15(19)16-12(4)13-7-10(2)6-11(3)8-13/h6-8,12,14,18H,5,9H2,1-4H3,(H2,16,17,19)
InChIKeyAUERWTGPMYLOBZ-UHFFFAOYSA-N
XLogP2.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea
CID 110901106
1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892427
1-(1-hydroxybutan-2-yl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 110892420
1-[(2S)-1-hydroxybutan-2-yl]-3-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97096200
1-[(1S)-1-(3,4-difluorophenyl)-2-methylpropyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856797
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856758
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
1-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 125139850
1-(3,5-dihydroxyphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108895499
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 111106616
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea (CID 111108490) is 1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea is CCC(CO)NC(=O)NC(C)c1cc(C)cc(C)c1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
The InChIKey is AUERWTGPMYLOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-14(9-18)17-15(19)16-12(4)13-7-10(2)6-11(3)8-13/h6-8,12,14,18H,5,9H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea?
1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea has a molecular weight of 264.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea is sourced from PubChem (CID 111108490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).