N-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide

C11H20N2O2 — CID 146410851

IUPACN-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide
SMILESC=C(CCC)C(=O)NC(CCC)C(N)=O
InChIInChI=1S/C11H20N2O2/c1-4-6-8(3)11(15)13-9(7-5-2)10(12)14/h9H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeySYNMPWDKUWQWRI-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.11
Rot. Bonds7

About N-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide

N-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide (PubChem CID 146410851) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide
PubChem CID146410851
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide
SMILESC=C(CCC)C(=O)NC(CCC)C(N)=O
InChIInChI=1S/C11H20N2O2/c1-4-6-8(3)11(15)13-9(7-5-2)10(12)14/h9H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeySYNMPWDKUWQWRI-UHFFFAOYSA-N
XLogP1.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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N-(2-amino-2-oxoethyl)-2-propylpent-2-enamide
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N-(2-aminoethyl)-2-methylidene-N-propylpentanamide
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(2S)-2,6-diamino-N-(2-methylprop-2-enoyl)hexanamide
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2-Methylidene-3-(propan-2-ylamino)pentanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide?
The IUPAC name of N-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide (CID 146410851) is N-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide.
What is the SMILES notation for N-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide?
The canonical SMILES for N-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide is C=C(CCC)C(=O)NC(CCC)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide?
The InChIKey is SYNMPWDKUWQWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-6-8(3)11(15)13-9(7-5-2)10(12)14/h9H,3-7H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of N-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide?
N-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide has a molecular weight of 212.29 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopentan-2-yl)-2-methylidenepentanamide is sourced from PubChem (CID 146410851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).