1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea

C16H24N2O2 — CID 111454185

IUPAC1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(CO)C(C)NC(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-11(10-19)12(2)17-16(20)18-15(14-8-9-14)13-6-4-3-5-7-13/h3-7,11-12,14-15,19H,8-10H2,1-2H3,(H2,17,18,20)
InChIKeyOBYKOYCNHYSNLJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.45
Rot. Bonds6

About 1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea

1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea (PubChem CID 111454185) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
PubChem CID111454185
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
SMILESCC(CO)C(C)NC(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-11(10-19)12(2)17-16(20)18-15(14-8-9-14)13-6-4-3-5-7-13/h3-7,11-12,14-15,19H,8-10H2,1-2H3,(H2,17,18,20)
InChIKeyOBYKOYCNHYSNLJ-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopropyl(phenyl)methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892838
1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea
CID 111104225
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methoxy-1-phenylethyl)urea
CID 111455158
3-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 62671204
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
2-(butan-2-ylamino)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 60719795
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94047977
2-amino-N-[cyclopropyl(phenyl)methyl]-2-methylpropanamide
CID 61265413
2-[[(S)-cyclohexyl(phenyl)methyl]carbamoylamino]propanediamide
CID 94187456
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
2-(azetidin-3-yl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 116675630
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea (CID 111454185) is 1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea.
What is the SMILES notation for 1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The canonical SMILES for 1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea is CC(CO)C(C)NC(=O)NC(c1ccccc1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea?
The InChIKey is OBYKOYCNHYSNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(10-19)12(2)17-16(20)18-15(14-8-9-14)13-6-4-3-5-7-13/h3-7,11-12,14-15,19H,8-10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea?
1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(phenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea is sourced from PubChem (CID 111454185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).