1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea

C15H24N2O2 — CID 61466439

IUPAC1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
SMILESCCC(C)C(C)NC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C15H24N2O2/c1-5-10(2)11(3)16-15(19)17-14-8-6-7-13(9-14)12(4)18/h6-12,18H,5H2,1-4H3,(H2,16,17,19)
InChIKeyXQVCQPJULMPVIB-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.30
Rot. Bonds5

About 1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea

1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea (PubChem CID 61466439) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
PubChem CID61466439
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
SMILESCCC(C)C(C)NC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C15H24N2O2/c1-5-10(2)11(3)16-15(19)17-14-8-6-7-13(9-14)12(4)18/h6-12,18H,5H2,1-4H3,(H2,16,17,19)
InChIKeyXQVCQPJULMPVIB-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 63836496
1-[3-(1-hydroxyethyl)phenyl]-3-octan-2-ylurea
CID 61478879
N-ethyl-2-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-N-methylpropanamide
CID 103113367
(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 61194996
ethyl (2R,3S)-3-[[3-(difluoromethyl)phenyl]carbamoylamino]-2-methylbutanoate
CID 129402429
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
CID 7314172
1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
CID 104765102
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603236
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea (CID 61466439) is 1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea is CCC(C)C(C)NC(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea?
The InChIKey is XQVCQPJULMPVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-10(2)11(3)16-15(19)17-14-8-6-7-13(9-14)12(4)18/h6-12,18H,5H2,1-4H3,(H2,16,17,19).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea?
1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea has a molecular weight of 264.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea is sourced from PubChem (CID 61466439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).