1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

C15H22N2O4 — CID 108874492

IUPAC1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)N(CCO)CCO)cc1
InChIInChI=1S/C15H22N2O4/c1-12-2-4-13(5-3-12)14(20)6-7-16-15(21)17(8-10-18)9-11-19/h2-5,18-19H,6-11H2,1H3,(H,16,21)
InChIKeyCVWOGPSKTLVHKZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.56
Rot. Bonds8

About 1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (PubChem CID 108874492) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
PubChem CID108874492
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccc(C(=O)CCNC(=O)N(CCO)CCO)cc1
InChIInChI=1S/C15H22N2O4/c1-12-2-4-13(5-3-12)14(20)6-7-16-15(21)17(8-10-18)9-11-19/h2-5,18-19H,6-11H2,1H3,(H,16,21)
InChIKeyCVWOGPSKTLVHKZ-UHFFFAOYSA-N
XLogP0.56
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-propylurea
CID 108874571
3-[2-hydroxyethyl-(4-methylbenzoyl)amino]propanoic acid
CID 82324694
1-benzyl-1-methyl-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874551
1-[2-(2-hydroxyethoxy)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874595
1-benzyl-3-[3-(4-methylphenyl)-3-oxopropyl]-1-phenylurea
CID 108874633
1-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874734
1-ethyl-1-(2-hydroxyethyl)-3-[2-(4-methylphenyl)sulfanylethyl]urea
CID 110895113
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 108570702
4-[[3-(4-methylphenyl)-3-oxopropyl]carbamoylamino]benzoic acid
CID 108874435
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 107486425
1-[2-(dimethylamino)ethyl]-1-(1,1-dioxothiolan-3-yl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874622

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (CID 108874492) is 1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is Cc1ccc(C(=O)CCNC(=O)N(CCO)CCO)cc1.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The InChIKey is CVWOGPSKTLVHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12-2-4-13(5-3-12)14(20)6-7-16-15(21)17(8-10-18)9-11-19/h2-5,18-19H,6-11H2,1H3,(H,16,21).
What are the key properties of 1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea has a molecular weight of 294.35 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-hydroxyethyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 108874492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).