N-carbamoyl-2-ethyl-N-methylbutanamide

C8H16N2O2 — CID 551330

IUPACN-carbamoyl-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-4-6(5-2)7(11)10(3)8(9)12/h6H,4-5H2,1-3H3,(H2,9,12)
InChIKeyVBBKVPPFYAUXHZ-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.96
Rot. Bonds3

About N-carbamoyl-2-ethyl-N-methylbutanamide

N-carbamoyl-2-ethyl-N-methylbutanamide (PubChem CID 551330) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-carbamoyl-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound NameN-carbamoyl-2-ethyl-N-methylbutanamide
PubChem CID551330
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-carbamoyl-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-4-6(5-2)7(11)10(3)8(9)12/h6H,4-5H2,1-3H3,(H2,9,12)
InChIKeyVBBKVPPFYAUXHZ-UHFFFAOYSA-N
XLogP0.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-ethyl-N-methylbutanamide?
The IUPAC name of N-carbamoyl-2-ethyl-N-methylbutanamide (CID 551330) is N-carbamoyl-2-ethyl-N-methylbutanamide.
What is the SMILES notation for N-carbamoyl-2-ethyl-N-methylbutanamide?
The canonical SMILES for N-carbamoyl-2-ethyl-N-methylbutanamide is CCC(CC)C(=O)N(C)C(N)=O.
What is the InChIKey of N-carbamoyl-2-ethyl-N-methylbutanamide?
The InChIKey is VBBKVPPFYAUXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-4-6(5-2)7(11)10(3)8(9)12/h6H,4-5H2,1-3H3,(H2,9,12).
What are the key properties of N-carbamoyl-2-ethyl-N-methylbutanamide?
N-carbamoyl-2-ethyl-N-methylbutanamide has a molecular weight of 172.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 551330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).