1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea

C12H24N2O2 — CID 111841130

IUPAC1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC1CCCC1(C)C
InChIInChI=1S/C12H24N2O2/c1-9(15)6-8-13-11(16)14-10-5-4-7-12(10,2)3/h9-10,15H,4-8H2,1-3H3,(H2,13,14,16)
InChIKeyMIZRVGVPQGHCID-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.64
Rot. Bonds4

About 1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea

1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea (PubChem CID 111841130) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea
PubChem CID111841130
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC1CCCC1(C)C
InChIInChI=1S/C12H24N2O2/c1-9(15)6-8-13-11(16)14-10-5-4-7-12(10,2)3/h9-10,15H,4-8H2,1-3H3,(H2,13,14,16)
InChIKeyMIZRVGVPQGHCID-UHFFFAOYSA-N
XLogP1.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylcyclopentyl)-3-(2-hydroxypentyl)urea
CID 111841149
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111841147
N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180369
6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid
CID 79873494
2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474536
2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
CID 79872044
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(3-methylbutoxy)ethyl]urea
CID 111505389
1-(2,2-dimethylcyclopentyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 79872586
5-[(2,2-dimethylcyclopentyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 79878603
1-(2,2-dimethylcyclopentyl)-3-(4-hydroxy-3-methylsulfanylbutan-2-yl)urea
CID 111840878

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea (CID 111841130) is 1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NC1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea?
The InChIKey is MIZRVGVPQGHCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(15)6-8-13-11(16)14-10-5-4-7-12(10,2)3/h9-10,15H,4-8H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea?
1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea has a molecular weight of 228.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111841130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).