1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea

C11H22N2O2 — CID 123800243

IUPAC1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea
SMILESCCCOCCNC(=O)N=C(C)C(C)C
InChIInChI=1S/C11H22N2O2/c1-5-7-15-8-6-12-11(14)13-10(4)9(2)3/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyZOLOZNCNSIZCJS-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.24
Rot. Bonds6

About 1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea

1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea (PubChem CID 123800243) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea.

Molecular Properties

Compound Name1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea
PubChem CID123800243
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea
SMILESCCCOCCNC(=O)N=C(C)C(C)C
InChIInChI=1S/C11H22N2O2/c1-5-7-15-8-6-12-11(14)13-10(4)9(2)3/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyZOLOZNCNSIZCJS-UHFFFAOYSA-N
XLogP2.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
(E)-5-methyl-4-oxo-N-(2-propoxyethyl)hex-2-enamide
CID 178008368
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
ethane;[2-oxo-2-(2-propoxyethylamino)ethyl]mercury
CID 171823735
4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178008137
(E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide
CID 167491660
N-[2-[2-(ethylamino)ethoxy]ethyl]-2-methylpropanamide;molecular hydrogen
CID 172574109
3-methyl-2-(2-propoxyethylcarbamoylamino)butanoic acid
CID 106450974
ethane;ethyl N-(2-propoxyethyl)carbamate
CID 167457488
2-(2-oxopropoxy)-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 123445865

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea?
The IUPAC name of 1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea (CID 123800243) is 1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea.
What is the SMILES notation for 1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea?
The canonical SMILES for 1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea is CCCOCCNC(=O)N=C(C)C(C)C.
What is the InChIKey of 1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea?
The InChIKey is ZOLOZNCNSIZCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-7-15-8-6-12-11(14)13-10(4)9(2)3/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of 1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea?
1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea has a molecular weight of 214.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-ylidene)-3-(2-propoxyethyl)urea is sourced from PubChem (CID 123800243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).