1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea

C16H32N2O2 — CID 111841147

IUPAC1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
SMILESCC(C)CC(CCO)CNC(=O)NC1CCCC1(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)10-13(7-9-19)11-17-15(20)18-14-6-5-8-16(14,3)4/h12-14,19H,5-11H2,1-4H3,(H2,17,18,20)
InChIKeyTXXICXCAOIYACP-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.91
Rot. Bonds7

About 1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea

1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea (PubChem CID 111841147) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
PubChem CID111841147
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
SMILESCC(C)CC(CCO)CNC(=O)NC1CCCC1(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)10-13(7-9-19)11-17-15(20)18-14-6-5-8-16(14,3)4/h12-14,19H,5-11H2,1-4H3,(H2,17,18,20)
InChIKeyTXXICXCAOIYACP-UHFFFAOYSA-N
XLogP2.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.91
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-(2,2-dimethylcyclopentyl)-3-(3-hydroxybutyl)urea
CID 111841130
3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide
CID 79878870
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
(3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide
CID 79878962
2-[[(2,2-dimethylcyclopentyl)carbamoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474536
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
4-[(2,2-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 79856763
1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide
CID 119817743
2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 107817457
2-amino-N-(2,2-dimethylcyclohexyl)-4-methylpentanamide
CID 79878464
N-[(2R)-2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide
CID 97037485

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea (CID 111841147) is 1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea is CC(C)CC(CCO)CNC(=O)NC1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea?
The InChIKey is TXXICXCAOIYACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)10-13(7-9-19)11-17-15(20)18-14-6-5-8-16(14,3)4/h12-14,19H,5-11H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea?
1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea has a molecular weight of 284.44 g/mol, XLogP of 2.91, 7 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-[2-(2-hydroxyethyl)-4-methylpentyl]urea is sourced from PubChem (CID 111841147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).