1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea

C12H26N2O2 — CID 111503761

IUPAC1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)NCC(C)(C)CCO
InChIInChI=1S/C12H26N2O2/c1-10(2)5-7-13-11(16)14-9-12(3,4)6-8-15/h10,15H,5-9H2,1-4H3,(H2,13,14,16)
InChIKeyWYMBJJKYZMMATA-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.74
Rot. Bonds7

About 1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea

1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea (PubChem CID 111503761) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea
PubChem CID111503761
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)NCC(C)(C)CCO
InChIInChI=1S/C12H26N2O2/c1-10(2)5-7-13-11(16)14-9-12(3,4)6-8-15/h10,15H,5-9H2,1-4H3,(H2,13,14,16)
InChIKeyWYMBJJKYZMMATA-UHFFFAOYSA-N
XLogP1.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 106146856
1,3-bis(3-methylbutyl)urea
CID 22563958
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide
CID 106147175
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506397
1-(4-hydroxy-2,2-dimethylbutyl)-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]urea
CID 111507230
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504976
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
1-[3-(4-chlorophenyl)propyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111505637
1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111507119
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 103708347
1-(2,2-dimethylpropyl)-3-(6-methylheptyl)urea
CID 156566869

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea?
The IUPAC name of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea (CID 111503761) is 1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea.
What is the SMILES notation for 1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea?
The canonical SMILES for 1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea is CC(C)CCNC(=O)NCC(C)(C)CCO.
What is the InChIKey of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea?
The InChIKey is WYMBJJKYZMMATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(2)5-7-13-11(16)14-9-12(3,4)6-8-15/h10,15H,5-9H2,1-4H3,(H2,13,14,16).
What are the key properties of 1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea?
1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea has a molecular weight of 230.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea is sourced from PubChem (CID 111503761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).