2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide

C9H17N3O3 — CID 567308

IUPAC2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)NC
InChIInChI=1S/C9H17N3O3/c1-4-6(5-2)7(13)11-9(15)12-8(14)10-3/h6H,4-5H2,1-3H3,(H3,10,11,12,13,14,15)
InChIKeyTXOVTEXZGLEGTQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.59
Rot. Bonds3

About 2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide

2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide (PubChem CID 567308) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide
PubChem CID567308
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)NC
InChIInChI=1S/C9H17N3O3/c1-4-6(5-2)7(13)11-9(15)12-8(14)10-3/h6H,4-5H2,1-3H3,(H3,10,11,12,13,14,15)
InChIKeyTXOVTEXZGLEGTQ-UHFFFAOYSA-N
XLogP0.59
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Aminocarbonyl)-2-ethylbutanamide
CID 16768
2-Isopropyl-3-methylbutanoyl UreaE
CID 24740768
N-(Carbamoylcarbamoyl)-2-ethyl-butanamide
CID 339458
3-Methyl-1-(2,2,3,3-tetramethylcyclopropanecarbonyl)urea
CID 11333089
1-Diethylacetyl-5,5-diethylbiuret
CID 11971850
1-Diethylacetyl-5-ethylbiuret
CID 11971856
1-Cyclohexylaminocarbonyl-3-(2-ethyl-butanoyl)-urea
CID 566880
N-(butylcarbamoylcarbamoyl)-2-ethylbutanamide
CID 13718879
N-(cyclohexylcarbamoyl)-3-methylbutanamide
CID 921345
1-(2-Ethylbutyryl)-1-methylurea
CID 551330
N-[bis(butanoylamino)methyl]butanamide
CID 44719771
1-Ethyl-3-(4-methylpentanoyl)urea
CID 85860124

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide?
The IUPAC name of 2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide (CID 567308) is 2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide?
The canonical SMILES for 2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide is CCC(CC)C(=O)NC(=O)NC(=O)NC.
What is the InChIKey of 2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide?
The InChIKey is TXOVTEXZGLEGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-4-6(5-2)7(13)11-9(15)12-8(14)10-3/h6H,4-5H2,1-3H3,(H3,10,11,12,13,14,15).
What are the key properties of 2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide?
2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide has a molecular weight of 215.25 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(methylcarbamoylcarbamoyl)butanamide is sourced from PubChem (CID 567308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).