3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide

C11H20N2O2 — CID 123308126

IUPAC3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide
SMILESC=NC(=O)C(NC(=O)CC(C)C)C(C)C
InChIInChI=1S/C11H20N2O2/c1-7(2)6-9(14)13-10(8(3)4)11(15)12-5/h7-8,10H,5-6H2,1-4H3,(H,13,14)
InChIKeyQHRAQMMRSFASMT-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.40
Rot. Bonds5

About 3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide

3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide (PubChem CID 123308126) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide.

Molecular Properties

Compound Name3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide
PubChem CID123308126
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide
SMILESC=NC(=O)C(NC(=O)CC(C)C)C(C)C
InChIInChI=1S/C11H20N2O2/c1-7(2)6-9(14)13-10(8(3)4)11(15)12-5/h7-8,10H,5-6H2,1-4H3,(H,13,14)
InChIKeyQHRAQMMRSFASMT-UHFFFAOYSA-N
XLogP1.40
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 11748635
[(1R)-1-[[(2S)-2-aminobutanoyl]amino]-3-methylbutyl]boronic acid
CID 53362790
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
(3S,6S)-3-Isopropyl-6-methylpiperazine-2,5-dione
CID 13783106
(3R)-3-(propan-2-yl)piperazine-2,5-dione
CID 736000
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 9839352
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
(S)-3-Isopropyl-2,5-piperazinedione
CID 736942
Ac-leu-nhme
CID 6950977
3-Isopropyl-2,5-piperazine-dione
CID 139827
Cyclo-L-Val-L-Val
CID 637596

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide?
The IUPAC name of 3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide (CID 123308126) is 3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide.
What is the SMILES notation for 3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide?
The canonical SMILES for 3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide is C=NC(=O)C(NC(=O)CC(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide?
The InChIKey is QHRAQMMRSFASMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(2)6-9(14)13-10(8(3)4)11(15)12-5/h7-8,10H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide?
3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide has a molecular weight of 212.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylbutanoylamino)-N-methylidenebutanamide is sourced from PubChem (CID 123308126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).