1-(3,3-dimethyl-2-oxobutyl)-3-propylurea

C10H20N2O2 — CID 60733420

IUPAC1-(3,3-dimethyl-2-oxobutyl)-3-propylurea
SMILESCCCNC(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-5-6-11-9(14)12-7-8(13)10(2,3)4/h5-7H2,1-4H3,(H2,11,12,14)
InChIKeyXNDBASDVBBWZNO-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.31
Rot. Bonds4

About 1-(3,3-dimethyl-2-oxobutyl)-3-propylurea

1-(3,3-dimethyl-2-oxobutyl)-3-propylurea (PubChem CID 60733420) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2-oxobutyl)-3-propylurea.

Molecular Properties

Compound Name1-(3,3-dimethyl-2-oxobutyl)-3-propylurea
PubChem CID60733420
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(3,3-dimethyl-2-oxobutyl)-3-propylurea
SMILESCCCNC(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-5-6-11-9(14)12-7-8(13)10(2,3)4/h5-7H2,1-4H3,(H2,11,12,14)
InChIKeyXNDBASDVBBWZNO-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
N-(3,3-dimethyl-2-oxobutyl)prop-2-enamide
CID 89037508
1-propyl-3-tridecylurea
CID 10934987
N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
CID 103822806
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-propylpropanamide
CID 87037238
4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
CID 65290131
N-cyclopropyl-2-(propylcarbamoylamino)acetamide
CID 84514772
heptan-4-yl N-(3,3-dimethyl-2-oxobutyl)carbamate
CID 59130135
2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61267137
1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea
CID 60970162
2-[4-(3,3-dimethyl-2-oxobutyl)phenyl]-N-propylacetamide
CID 21340974
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2-oxobutyl)-3-propylurea?
The IUPAC name of 1-(3,3-dimethyl-2-oxobutyl)-3-propylurea (CID 60733420) is 1-(3,3-dimethyl-2-oxobutyl)-3-propylurea.
What is the SMILES notation for 1-(3,3-dimethyl-2-oxobutyl)-3-propylurea?
The canonical SMILES for 1-(3,3-dimethyl-2-oxobutyl)-3-propylurea is CCCNC(=O)NCC(=O)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethyl-2-oxobutyl)-3-propylurea?
The InChIKey is XNDBASDVBBWZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-6-11-9(14)12-7-8(13)10(2,3)4/h5-7H2,1-4H3,(H2,11,12,14).
What are the key properties of 1-(3,3-dimethyl-2-oxobutyl)-3-propylurea?
1-(3,3-dimethyl-2-oxobutyl)-3-propylurea has a molecular weight of 200.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2-oxobutyl)-3-propylurea is sourced from PubChem (CID 60733420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).