3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea

C13H26N2O2 — CID 54916723

IUPAC3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(C)N(CCCO)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)15(9-6-10-16)13(17)14-12-7-4-3-5-8-12/h11-12,16H,3-10H2,1-2H3,(H,14,17)
InChIKeyMULFXUHCJOUPTD-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.12
Rot. Bonds5

About 3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea

3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea (PubChem CID 54916723) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea
PubChem CID54916723
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea
SMILESCC(C)N(CCCO)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)15(9-6-10-16)13(17)14-12-7-4-3-5-8-12/h11-12,16H,3-10H2,1-2H3,(H,14,17)
InChIKeyMULFXUHCJOUPTD-UHFFFAOYSA-N
XLogP2.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyanoethyl)-3-cyclohexyl-1-propan-2-ylurea
CID 54949286
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
3-[cyclopropylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61187933
3-cyclohexyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 79720446
methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
CID 116655081
cis-(1S,2R)-2-[3-hydroxypropyl(propan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 93469209
2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
CID 60828429
3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea
CID 106629886
3-cyclopentyl-1-propan-2-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613201
3-[piperidin-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61402752
3-[oxan-4-ylcarbamoyl(propan-2-yl)amino]propanoic acid
CID 61202946
N-cycloheptyl-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107204158

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea?
The IUPAC name of 3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea (CID 54916723) is 3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea?
The canonical SMILES for 3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea is CC(C)N(CCCO)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea?
The InChIKey is MULFXUHCJOUPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)15(9-6-10-16)13(17)14-12-7-4-3-5-8-12/h11-12,16H,3-10H2,1-2H3,(H,14,17).
What are the key properties of 3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea?
3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea has a molecular weight of 242.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea is sourced from PubChem (CID 54916723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).