1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea

C13H26N2O2 — CID 111509411

IUPAC1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea
SMILESCCCC1CC1NC(=O)NC(CCO)C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-5-10-8-12(10)15-13(17)14-11(6-7-16)9(2)3/h9-12,16H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyUCXHGLVANFWAAH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.88
Rot. Bonds7

About 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea

1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea (PubChem CID 111509411) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea
PubChem CID111509411
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea
SMILESCCCC1CC1NC(=O)NC(CCO)C(C)C
InChIInChI=1S/C13H26N2O2/c1-4-5-10-8-12(10)15-13(17)14-11(6-7-16)9(2)3/h9-12,16H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyUCXHGLVANFWAAH-UHFFFAOYSA-N
XLogP1.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[(1R,2R)-2-propylcyclopropyl]urea
CID 130628740
1-(3-ethylsulfanylcyclohexyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111751203
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea
CID 111508109
1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 103708258
1-(2-hydroxy-1-phenylethyl)-3-(2-propylcyclopropyl)urea
CID 111509432
(2S)-2-amino-3,3-dimethyl-N-(2-propylcyclopropyl)butanamide
CID 103812752
4-[(2-propylcyclopropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114111471
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(2-propylcyclopropyl)urea
CID 75374838
2-[(2-propylcyclopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106704168
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-propylcyclopropyl)urea
CID 111505588
4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106348503

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea (CID 111509411) is 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea is CCCC1CC1NC(=O)NC(CCO)C(C)C.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea?
The InChIKey is UCXHGLVANFWAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-10-8-12(10)15-13(17)14-11(6-7-16)9(2)3/h9-12,16H,4-8H2,1-3H3,(H2,14,15,17).
What are the key properties of 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea?
1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea has a molecular weight of 242.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-3-yl)-3-(2-propylcyclopropyl)urea is sourced from PubChem (CID 111509411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).