1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea

C13H26N2O2 — CID 65121622

IUPAC1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-9-14-11(16)15-10-13(17)7-5-12(2,3)6-8-13/h17H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyHVONKSSRDLVZPG-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.03
Rot. Bonds4

About 1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea

1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea (PubChem CID 65121622) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea
PubChem CID65121622
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea
SMILESCCCNC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C13H26N2O2/c1-4-9-14-11(16)15-10-13(17)7-5-12(2,3)6-8-13/h17H,4-10H2,1-3H3,(H2,14,15,16)
InChIKeyHVONKSSRDLVZPG-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide
CID 65120371
1-tert-butyl-3-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]urea
CID 65121623
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide
CID 65118984
3-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 65123311
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea
CID 114749715
1-(4,4-dimethylcyclohexyl)-3-propylurea
CID 115660888
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615
2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119121
2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119187
3-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-2-carboxamide
CID 65119469
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 65120275
1-[(1-amino-4-tert-butylcyclohexyl)methyl]-3-propylurea
CID 165484833

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea?
The IUPAC name of 1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea (CID 65121622) is 1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea?
The canonical SMILES for 1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea is CCCNC(=O)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea?
The InChIKey is HVONKSSRDLVZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-9-14-11(16)15-10-13(17)7-5-12(2,3)6-8-13/h17H,4-10H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea?
1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea has a molecular weight of 242.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea is sourced from PubChem (CID 65121622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).