1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea

C11H22N2O3 — CID 55767176

IUPAC1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COCC(O)CNC(=O)NC1CC1
InChIInChI=1S/C11H22N2O3/c1-8(2)6-16-7-10(14)5-12-11(15)13-9-3-4-9/h8-10,14H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyXZYVQDYMISRCKO-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.48
Rot. Bonds7

About 1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea

1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea (PubChem CID 55767176) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
PubChem CID55767176
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
SMILESCC(C)COCC(O)CNC(=O)NC1CC1
InChIInChI=1S/C11H22N2O3/c1-8(2)6-16-7-10(14)5-12-11(15)13-9-3-4-9/h8-10,14H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyXZYVQDYMISRCKO-UHFFFAOYSA-N
XLogP0.48
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 97080512
N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide
CID 79394457
1-(2-hydroxy-3-methoxypropyl)-3-(4-propylcyclohexyl)urea
CID 111426774
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 97082558
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 97082557
1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 86927545
4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]cyclohexane-1-carboxamide
CID 54913944
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60635542
1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol
CID 60702508
1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
CID 110904584
1-[2-(2-methylpropoxy)ethyl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 96518459

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea (CID 55767176) is 1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea is CC(C)COCC(O)CNC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea?
The InChIKey is XZYVQDYMISRCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)6-16-7-10(14)5-12-11(15)13-9-3-4-9/h8-10,14H,3-7H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea?
1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea has a molecular weight of 230.31 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea is sourced from PubChem (CID 55767176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).