N-carbamoyl-3-methylbutanamide

C6H12N2O2 — CID 568317

IUPACN-carbamoyl-3-methylbutanamide
SMILESCC(C)CC(=O)NC(N)=O
InChIInChI=1S/C6H12N2O2/c1-4(2)3-5(9)8-6(7)10/h4H,3H2,1-2H3,(H3,7,8,9,10)
InChIKeyKBJPBSNKRUDROY-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.23
Rot. Bonds2

About N-carbamoyl-3-methylbutanamide

N-carbamoyl-3-methylbutanamide (PubChem CID 568317) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-carbamoyl-3-methylbutanamide.

Molecular Properties

Compound NameN-carbamoyl-3-methylbutanamide
PubChem CID568317
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-carbamoyl-3-methylbutanamide
SMILESCC(C)CC(=O)NC(N)=O
InChIInChI=1S/C6H12N2O2/c1-4(2)3-5(9)8-6(7)10/h4H,3H2,1-2H3,(H3,7,8,9,10)
InChIKeyKBJPBSNKRUDROY-UHFFFAOYSA-N
XLogP0.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-methylbutanamide?
The IUPAC name of N-carbamoyl-3-methylbutanamide (CID 568317) is N-carbamoyl-3-methylbutanamide.
What is the SMILES notation for N-carbamoyl-3-methylbutanamide?
The canonical SMILES for N-carbamoyl-3-methylbutanamide is CC(C)CC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-3-methylbutanamide?
The InChIKey is KBJPBSNKRUDROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(2)3-5(9)8-6(7)10/h4H,3H2,1-2H3,(H3,7,8,9,10).
What are the key properties of N-carbamoyl-3-methylbutanamide?
N-carbamoyl-3-methylbutanamide has a molecular weight of 144.17 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-methylbutanamide is sourced from PubChem (CID 568317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).