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

C13H28N2O2 — CID 111503800

IUPAC1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCC(CCO)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)7-12(5-6-16)9-15-13(17)14-8-11(3)4/h10-12,16H,5-9H2,1-4H3,(H2,14,15,17)
InChIKeyXQODADCICCLLNH-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.99
Rot. Bonds8

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

1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea (PubChem CID 111503800) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
PubChem CID111503800
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)NCC(CCO)CC(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)7-12(5-6-16)9-15-13(17)14-8-11(3)4/h10-12,16H,5-9H2,1-4H3,(H2,14,15,17)
InChIKeyXQODADCICCLLNH-UHFFFAOYSA-N
XLogP1.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
CID 119817789
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111507954
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(thiophen-2-ylmethyl)urea
CID 111503737
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 111504487
1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide
CID 119817743
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(5-methylthiophen-2-yl)urea
CID 111499032
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119817764
(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
CID 104903746
1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111841147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea (CID 111503800) is 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)NCC(CCO)CC(C)C.
What is the InChIKey of 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea?
The InChIKey is XQODADCICCLLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)7-12(5-6-16)9-15-13(17)14-8-11(3)4/h10-12,16H,5-9H2,1-4H3,(H2,14,15,17).
What are the key properties of 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea?
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea has a molecular weight of 244.38 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 111503800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).