N-carbamoyl-2-ethylbutanamide

C7H14N2O2 — CID 16768

IUPACN-carbamoyl-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(N)=O
InChIInChI=1S/C7H14N2O2/c1-3-5(4-2)6(10)9-7(8)11/h5H,3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyJIOUJVPLJOQUFD-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.62
Rot. Bonds3

About N-carbamoyl-2-ethylbutanamide

N-carbamoyl-2-ethylbutanamide (PubChem CID 16768) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-carbamoyl-2-ethylbutanamide.

Molecular Properties

Compound NameN-carbamoyl-2-ethylbutanamide
PubChem CID16768
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-carbamoyl-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(N)=O
InChIInChI=1S/C7H14N2O2/c1-3-5(4-2)6(10)9-7(8)11/h5H,3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyJIOUJVPLJOQUFD-UHFFFAOYSA-N
XLogP0.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-ethylbutanamide?
The IUPAC name of N-carbamoyl-2-ethylbutanamide (CID 16768) is N-carbamoyl-2-ethylbutanamide.
What is the SMILES notation for N-carbamoyl-2-ethylbutanamide?
The canonical SMILES for N-carbamoyl-2-ethylbutanamide is CCC(CC)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-ethylbutanamide?
The InChIKey is JIOUJVPLJOQUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-5(4-2)6(10)9-7(8)11/h5H,3-4H2,1-2H3,(H3,8,9,10,11).
What are the key properties of N-carbamoyl-2-ethylbutanamide?
N-carbamoyl-2-ethylbutanamide has a molecular weight of 158.20 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-ethylbutanamide is sourced from PubChem (CID 16768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).