3-benzhydryl-1,1-bis(2-hydroxyethyl)urea

C18H22N2O3 — CID 108867415

IUPAC3-benzhydryl-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(NC(c1ccccc1)c1ccccc1)N(CCO)CCO
InChIInChI=1S/C18H22N2O3/c21-13-11-20(12-14-22)18(23)19-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,21-22H,11-14H2,(H,19,23)
InChIKeyKLRFETJIYLJHRZ-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.77
Rot. Bonds7

About 3-benzhydryl-1,1-bis(2-hydroxyethyl)urea

3-benzhydryl-1,1-bis(2-hydroxyethyl)urea (PubChem CID 108867415) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-benzhydryl-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-benzhydryl-1,1-bis(2-hydroxyethyl)urea
PubChem CID108867415
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-benzhydryl-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(NC(c1ccccc1)c1ccccc1)N(CCO)CCO
InChIInChI=1S/C18H22N2O3/c21-13-11-20(12-14-22)18(23)19-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,21-22H,11-14H2,(H,19,23)
InChIKeyKLRFETJIYLJHRZ-UHFFFAOYSA-N
XLogP1.77
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110896607
3-benzhydryl-1,1-dibutylurea
CID 108867480
1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
CID 173326019
3-benzhydryl-1,1-dimethylurea
CID 2228466
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-phenylacetic acid
CID 107481648
1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 110894923
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
N-(3-aminopropyl)-N-(benzhydrylcarbamoyl)formamide
CID 108867513
2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047
2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233586
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233954
1,1-diethyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 103837096

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-benzhydryl-1,1-bis(2-hydroxyethyl)urea (CID 108867415) is 3-benzhydryl-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-benzhydryl-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-benzhydryl-1,1-bis(2-hydroxyethyl)urea is O=C(NC(c1ccccc1)c1ccccc1)N(CCO)CCO.
What is the InChIKey of 3-benzhydryl-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is KLRFETJIYLJHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-13-11-20(12-14-22)18(23)19-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,21-22H,11-14H2,(H,19,23).
What are the key properties of 3-benzhydryl-1,1-bis(2-hydroxyethyl)urea?
3-benzhydryl-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 314.38 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 108867415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).