N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide

C9H17BN2O3 — CID 18341635

IUPACN-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide
SMILESCON(C)C(=O)C(CC(C)C)/N=C/B=O
InChIInChI=1S/C9H17BN2O3/c1-7(2)5-8(11-6-10-14)9(13)12(3)15-4/h6-8H,5H2,1-4H3/b11-6+
InChIKeyRRSHNAXBBKYNJA-IZZDOVSWSA-N
MW212.06 g/mol
LogP0.50
Rot. Bonds6

About N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide

N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide (PubChem CID 18341635) has the molecular formula C9H17BN2O3 and a molecular weight of 212.06 g/mol. Its IUPAC name is N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide.

Molecular Properties

Compound NameN-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide
PubChem CID18341635
Molecular FormulaC9H17BN2O3
Molecular Weight212.06 g/mol
Exact Mass212.13
IUPAC NameN-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide
SMILESCON(C)C(=O)C(CC(C)C)/N=C/B=O
InChIInChI=1S/C9H17BN2O3/c1-7(2)5-8(11-6-10-14)9(13)12(3)15-4/h6-8H,5H2,1-4H3/b11-6+
InChIKeyRRSHNAXBBKYNJA-IZZDOVSWSA-N
XLogP0.50
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide?
The IUPAC name of N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide (CID 18341635) is N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide.
What is the SMILES notation for N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide?
The canonical SMILES for N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide is CON(C)C(=O)C(CC(C)C)/N=C/B=O.
What is the InChIKey of N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide?
The InChIKey is RRSHNAXBBKYNJA-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H17BN2O3/c1-7(2)5-8(11-6-10-14)9(13)12(3)15-4/h6-8H,5H2,1-4H3/b11-6+.
What are the key properties of N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide?
N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide has a molecular weight of 212.06 g/mol, XLogP of 0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide is sourced from PubChem (CID 18341635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).