N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide

C13H25NO3 — CID 19376129

IUPACN-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(CC)C(OC(C)C)OC(C)C
InChIInChI=1S/C13H25NO3/c1-7-11(14-12(15)8-2)13(16-9(3)4)17-10(5)6/h8-11,13H,2,7H2,1,3-6H3,(H,14,15)
InChIKeyATLRXOXFBHSHLV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.24
Rot. Bonds8

About N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide

N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide (PubChem CID 19376129) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide
PubChem CID19376129
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(CC)C(OC(C)C)OC(C)C
InChIInChI=1S/C13H25NO3/c1-7-11(14-12(15)8-2)13(16-9(3)4)17-10(5)6/h8-11,13H,2,7H2,1,3-6H3,(H,14,15)
InChIKeyATLRXOXFBHSHLV-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.24
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

N-(4,4-diethoxybutyl)prop-2-enamide
CID 14008504
N,N'-bisacryloyl-2,2-di-(2-aminoethoxy)propane
CID 15608862
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
(E)-N-(1,1-diethoxybutan-2-yl)but-2-enamide
CID 19376121
N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide
CID 19376123
N-(1-hydroxy-1-propan-2-yloxybutan-2-yl)prop-2-enamide
CID 19376126
Acrylamidopentanal Diethyl Acetal
CID 19376127
N-(1,1-dipropoxyhexan-2-yl)prop-2-enamide
CID 19376134
[1-Acetyloxy-2-(prop-2-enoylamino)butyl] acetate
CID 19376135
N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide
CID 19376139

Frequently Asked Questions

What is the IUPAC name of N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide?
The IUPAC name of N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide (CID 19376129) is N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide?
The canonical SMILES for N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide is C=CC(=O)NC(CC)C(OC(C)C)OC(C)C.
What is the InChIKey of N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide?
The InChIKey is ATLRXOXFBHSHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-7-11(14-12(15)8-2)13(16-9(3)4)17-10(5)6/h8-11,13H,2,7H2,1,3-6H3,(H,14,15).
What are the key properties of N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide?
N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide has a molecular weight of 243.35 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide is sourced from PubChem (CID 19376129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).