2-acetamido-N-methylbutanamide

C7H14N2O2 — CID 547390

IUPAC2-acetamido-N-methylbutanamide
SMILESCCC(NC(C)=O)C(=O)NC
InChIInChI=1S/C7H14N2O2/c1-4-6(7(11)8-3)9-5(2)10/h6H,4H2,1-3H3,(H,8,11)(H,9,10)
InChIKeyRLEMBFQMTNKTMZ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.35
Rot. Bonds3

About 2-acetamido-N-methylbutanamide

2-acetamido-N-methylbutanamide (PubChem CID 547390) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-acetamido-N-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-methylbutanamide
PubChem CID547390
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-acetamido-N-methylbutanamide
SMILESCCC(NC(C)=O)C(=O)NC
InChIInChI=1S/C7H14N2O2/c1-4-6(7(11)8-3)9-5(2)10/h6H,4H2,1-3H3,(H,8,11)(H,9,10)
InChIKeyRLEMBFQMTNKTMZ-UHFFFAOYSA-N
XLogP-0.35
TPSA58.20 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 ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pramiracetam
CID 51712
(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
CID 6992112
3,6-Dimethylpiperazine-2,5-dione
CID 97704
L-Alanylglycine
CID 6998028
3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
Cyclo(alanyl-glycyl)
CID 107297
Ala-boroAla
CID 74765703
Cyclo(alanylalanyl)
CID 165356
Ala-Ala zwitterion
CID 6992372
L-Alanylglycinamide
CID 7019037
Glycyl-l-alaninamide
CID 7019077
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
CID 10989432

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methylbutanamide?
The IUPAC name of 2-acetamido-N-methylbutanamide (CID 547390) is 2-acetamido-N-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-methylbutanamide?
The canonical SMILES for 2-acetamido-N-methylbutanamide is CCC(NC(C)=O)C(=O)NC.
What is the InChIKey of 2-acetamido-N-methylbutanamide?
The InChIKey is RLEMBFQMTNKTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4-6(7(11)8-3)9-5(2)10/h6H,4H2,1-3H3,(H,8,11)(H,9,10).
What are the key properties of 2-acetamido-N-methylbutanamide?
2-acetamido-N-methylbutanamide has a molecular weight of 158.20 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methylbutanamide is sourced from PubChem (CID 547390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).