2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide

C11H21N3O3 — CID 134915390

IUPAC2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)N(C)CC
InChIInChI=1S/C11H21N3O3/c1-5-8(6-2)9(15)12-10(16)13-11(17)14(4)7-3/h8H,5-7H2,1-4H3,(H2,12,13,15,16,17)
InChIKeyPNYGOVUXYGWNHW-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.32
Rot. Bonds4

About 2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide

2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide (PubChem CID 134915390) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide
PubChem CID134915390
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide
SMILESCCC(CC)C(=O)NC(=O)NC(=O)N(C)CC
InChIInChI=1S/C11H21N3O3/c1-5-8(6-2)9(15)12-10(16)13-11(17)14(4)7-3/h8H,5-7H2,1-4H3,(H2,12,13,15,16,17)
InChIKeyPNYGOVUXYGWNHW-UHFFFAOYSA-N
XLogP1.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Carbamoylcarbamoyl)-2-ethyl-butanamide
CID 339458
1-Diethylacetyl-5,5-diethylbiuret
CID 11971850
1-Diethylacetyl-5-ethylbiuret
CID 11971856
1-Cyclohexylaminocarbonyl-3-(2-ethyl-butanoyl)-urea
CID 566880
Butanamide, 2-ethyl-N-[[[(methylamino)carbonyl]amino]carbonyl]-
CID 567308
N-(butylcarbamoylcarbamoyl)-2-ethylbutanamide
CID 13718879
1-(2-Ethylbutyryl)-1-methylurea
CID 551330
1-Ethyl-3-(4-methylpentanoyl)urea
CID 85860124
1-(4-Methylpentanoyl)-3-propylurea
CID 90814076
Isovaleryldiathylaminomethylharnstoff
CID 129645157
N-[[butyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide
CID 134915206
N-[[cyclohexyl(ethyl)carbamoyl]carbamoyl]-2-ethylbutanamide
CID 134915207

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide?
The IUPAC name of 2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide (CID 134915390) is 2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide?
The canonical SMILES for 2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide is CCC(CC)C(=O)NC(=O)NC(=O)N(C)CC.
What is the InChIKey of 2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide?
The InChIKey is PNYGOVUXYGWNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-5-8(6-2)9(15)12-10(16)13-11(17)14(4)7-3/h8H,5-7H2,1-4H3,(H2,12,13,15,16,17).
What are the key properties of 2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide?
2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide has a molecular weight of 243.31 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide is sourced from PubChem (CID 134915390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).