1,3-bis(3-methylbutyl)urea

C11H24N2O — CID 22563958

IUPAC1,3-bis(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)NCCC(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)5-7-12-11(14)13-8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H2,12,13,14)
InChIKeyAURPMRPZTDOADA-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.38
Rot. Bonds6

About 1,3-bis(3-methylbutyl)urea

1,3-bis(3-methylbutyl)urea (PubChem CID 22563958) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,3-bis(3-methylbutyl)urea.

Molecular Properties

Compound Name1,3-bis(3-methylbutyl)urea
PubChem CID22563958
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1,3-bis(3-methylbutyl)urea
SMILESCC(C)CCNC(=O)NCCC(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)5-7-12-11(14)13-8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H2,12,13,14)
InChIKeyAURPMRPZTDOADA-UHFFFAOYSA-N
XLogP2.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-hydroxy-3-(3-methylbutylcarbamoylamino)propanoic acid
CID 107837964
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
N-(3-methylbutyl)-1-phosphanylformamide
CID 143734498
3-chloro-2-methyl-N-(3-methylbutyl)propanamide
CID 62726569
(2R)-2-(3-methylbutylcarbamoylamino)propanoate
CID 2015483
1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 110312214
1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea
CID 111503761
3-[(3-methylbutylcarbamoylamino)methyl]pentanoic acid
CID 81072494
(2S)-3-hydroxy-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 61185829
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
CID 103927496

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methylbutyl)urea?
The IUPAC name of 1,3-bis(3-methylbutyl)urea (CID 22563958) is 1,3-bis(3-methylbutyl)urea.
What is the SMILES notation for 1,3-bis(3-methylbutyl)urea?
The canonical SMILES for 1,3-bis(3-methylbutyl)urea is CC(C)CCNC(=O)NCCC(C)C.
What is the InChIKey of 1,3-bis(3-methylbutyl)urea?
The InChIKey is AURPMRPZTDOADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)5-7-12-11(14)13-8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H2,12,13,14).
What are the key properties of 1,3-bis(3-methylbutyl)urea?
1,3-bis(3-methylbutyl)urea has a molecular weight of 200.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methylbutyl)urea is sourced from PubChem (CID 22563958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).