3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

C19H28N2O2 — CID 110896590

IUPAC3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(NC(c1ccccc1)C1CCCCC1)N(CCO)C1CC1
InChIInChI=1S/C19H28N2O2/c22-14-13-21(17-11-12-17)19(23)20-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1,3-4,7-8,16-18,22H,2,5-6,9-14H2,(H,20,23)
InChIKeyYONDWGJBHIHNQJ-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.47
Rot. Bonds6

About 3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea

3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (PubChem CID 110896590) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
PubChem CID110896590
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
SMILESO=C(NC(c1ccccc1)C1CCCCC1)N(CCO)C1CC1
InChIInChI=1S/C19H28N2O2/c22-14-13-21(17-11-12-17)19(23)20-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1,3-4,7-8,16-18,22H,2,5-6,9-14H2,(H,20,23)
InChIKeyYONDWGJBHIHNQJ-UHFFFAOYSA-N
XLogP3.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 96534331
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 110899428
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
2-cyano-N-cyclopentyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 62877024
1-cyclopropyl-3-(3,3-dimethyl-1-phenylbutan-2-yl)-1-(2-hydroxyethyl)urea
CID 111422968
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 43578971
2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 54998545
2-[[(S)-cyclohexyl(phenyl)methyl]carbamoylamino]propanediamide
CID 94187456
2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide
CID 51091250
1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
CID 71925622

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea (CID 110896590) is 3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is O=C(NC(c1ccccc1)C1CCCCC1)N(CCO)C1CC1.
What is the InChIKey of 3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
The InChIKey is YONDWGJBHIHNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-14-13-21(17-11-12-17)19(23)20-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1,3-4,7-8,16-18,22H,2,5-6,9-14H2,(H,20,23).
What are the key properties of 3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea?
3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea has a molecular weight of 316.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110896590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).