1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea

C16H24N2O2 — CID 111338273

IUPAC1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
SMILESCC(C)(C)C(O)CNC(=O)NC1CC1c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)14(19)10-17-15(20)18-13-9-12(13)11-7-5-4-6-8-11/h4-8,12-14,19H,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyLPZGAEOMOQDVDA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.25
Rot. Bonds4

About 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea

1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea (PubChem CID 111338273) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
PubChem CID111338273
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
SMILESCC(C)(C)C(O)CNC(=O)NC1CC1c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)14(19)10-17-15(20)18-13-9-12(13)11-7-5-4-6-8-11/h4-8,12-14,19H,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyLPZGAEOMOQDVDA-UHFFFAOYSA-N
XLogP2.25
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid
CID 81066840
2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide
CID 95583258
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
2-amino-2-methyl-N-(2-phenylcyclopropyl)propanamide;hydrochloride
CID 119281635
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
CID 47764323
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid
CID 107566679
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95302935

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea (CID 111338273) is 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea is CC(C)(C)C(O)CNC(=O)NC1CC1c1ccccc1.
What is the InChIKey of 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea?
The InChIKey is LPZGAEOMOQDVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)14(19)10-17-15(20)18-13-9-12(13)11-7-5-4-6-8-11/h4-8,12-14,19H,9-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea?
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea is sourced from PubChem (CID 111338273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).