1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

C15H22N2O3 — CID 108874734

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C15H22N2O3/c1-11-4-6-12(7-5-11)13(19)8-9-16-14(20)17-15(2,3)10-18/h4-7,18H,8-10H2,1-3H3,(H2,16,17,20)
InChIKeyHHTIHINDWMABJE-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.64
Rot. Bonds6

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (PubChem CID 108874734) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
PubChem CID108874734
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C15H22N2O3/c1-11-4-6-12(7-5-11)13(19)8-9-16-14(20)17-15(2,3)10-18/h4-7,18H,8-10H2,1-3H3,(H2,16,17,20)
InChIKeyHHTIHINDWMABJE-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881485
4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874435
1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874595
4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide
CID 108874660
1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874536
1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874492
4-tert-butyl-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 110878328
3-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874416
1-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874692
1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874505
1-[3-(4-methylphenyl)-3-oxopropyl]-3-(pyridin-4-ylmethyl)urea
CID 108874547
1-(2,2-diethoxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874774

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (CID 108874734) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is Cc1ccc(C(=O)CCNC(=O)NC(C)(C)CO)cc1.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The InChIKey is HHTIHINDWMABJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-4-6-12(7-5-11)13(19)8-9-16-14(20)17-15(2,3)10-18/h4-7,18H,8-10H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea has a molecular weight of 278.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 108874734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).