N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide

C11H21NO3 — CID 19376123

IUPACN-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C(OCC)OCC
InChIInChI=1S/C11H21NO3/c1-6-14-11(15-7-2)9(5)12-10(13)8(3)4/h9,11H,3,6-7H2,1-2,4-5H3,(H,12,13)
InChIKeyDITXKXGCNGKBCL-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.47
Rot. Bonds7

About N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide

N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide (PubChem CID 19376123) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide
PubChem CID19376123
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C(OCC)OCC
InChIInChI=1S/C11H21NO3/c1-6-14-11(15-7-2)9(5)12-10(13)8(3)4/h9,11H,3,6-7H2,1-2,4-5H3,(H,12,13)
InChIKeyDITXKXGCNGKBCL-UHFFFAOYSA-N
XLogP1.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide (CID 19376123) is N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)C(OCC)OCC.
What is the InChIKey of N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide?
The InChIKey is DITXKXGCNGKBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-14-11(15-7-2)9(5)12-10(13)8(3)4/h9,11H,3,6-7H2,1-2,4-5H3,(H,12,13).
What are the key properties of N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide?
N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide has a molecular weight of 215.29 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 19376123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).