N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide

C11H21NO3 — CID 19376139

IUPACN-(1,1-dimethoxyhexan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(CCCC)C(OC)OC
InChIInChI=1S/C11H21NO3/c1-5-7-8-9(11(14-3)15-4)12-10(13)6-2/h6,9,11H,2,5,7-8H2,1,3-4H3,(H,12,13)
InChIKeyWJHLEHZOEOQRIM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.47
Rot. Bonds8

About N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide

N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide (PubChem CID 19376139) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,1-dimethoxyhexan-2-yl)prop-2-enamide
PubChem CID19376139
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(1,1-dimethoxyhexan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(CCCC)C(OC)OC
InChIInChI=1S/C11H21NO3/c1-5-7-8-9(11(14-3)15-4)12-10(13)6-2/h6,9,11H,2,5,7-8H2,1,3-4H3,(H,12,13)
InChIKeyWJHLEHZOEOQRIM-UHFFFAOYSA-N
XLogP1.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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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Related Compounds

Acrylamidobutyraldehyde Dimethyl Acetal
CID 18520795
N-(1,1-diethoxyhexan-2-yl)prop-2-enamide
CID 19376111
N-(1,1-diethoxyheptan-2-yl)prop-2-enamide
CID 19376113
N-(1,1-dipropoxyheptan-2-yl)prop-2-enamide
CID 19376117
N-(1,1-dimethoxyheptan-2-yl)prop-2-enamide
CID 19376124
Acrylamidopentanal Diethyl Acetal
CID 19376127
N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide
CID 19376129
N-(1,1-dipropoxyhexan-2-yl)prop-2-enamide
CID 19376134
(E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide
CID 19376143
N-(1,1-dimethoxypentan-2-yl)prop-2-enamide
CID 19376148
N-(1,1-dipropoxybutan-2-yl)prop-2-enamide
CID 19376153
N-(2,2-dipentoxyethyl)prop-2-enamide
CID 19746540

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide?
The IUPAC name of N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide (CID 19376139) is N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide is C=CC(=O)NC(CCCC)C(OC)OC.
What is the InChIKey of N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide?
The InChIKey is WJHLEHZOEOQRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-7-8-9(11(14-3)15-4)12-10(13)6-2/h6,9,11H,2,5,7-8H2,1,3-4H3,(H,12,13).
What are the key properties of N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide?
N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide has a molecular weight of 215.29 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide is sourced from PubChem (CID 19376139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).