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

C14H27NO3 — CID 19376147

IUPAC(E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide
SMILESC/C=C/C(=O)NC(CC)C(OC(C)C)OC(C)C
InChIInChI=1S/C14H27NO3/c1-7-9-13(16)15-12(8-2)14(17-10(3)4)18-11(5)6/h7,9-12,14H,8H2,1-6H3,(H,15,16)/b9-7+
InChIKeyUUFRMHYWMBOURM-VQHVLOKHSA-N
MW257.37 g/mol
LogP2.63
Rot. Bonds8

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

(E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide (PubChem CID 19376147) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide
PubChem CID19376147
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide
SMILESC/C=C/C(=O)NC(CC)C(OC(C)C)OC(C)C
InChIInChI=1S/C14H27NO3/c1-7-9-13(16)15-12(8-2)14(17-10(3)4)18-11(5)6/h7,9-12,14H,8H2,1-6H3,(H,15,16)/b9-7+
InChIKeyUUFRMHYWMBOURM-VQHVLOKHSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.63
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
(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-di(propan-2-yloxy)butan-2-yl]prop-2-enamide
CID 19376129
[1-Acetyloxy-2-(prop-2-enoylamino)butyl] acetate
CID 19376135
(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-[1,1-di(propan-2-yloxy)butan-2-yl]-2-methylprop-2-enamide
CID 19376157
N-(1,1-diethoxybutan-2-yl)prop-2-enamide
CID 22719315

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide?
The IUPAC name of (E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide (CID 19376147) is (E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide.
What is the SMILES notation for (E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide?
The canonical SMILES for (E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide is C/C=C/C(=O)NC(CC)C(OC(C)C)OC(C)C.
What is the InChIKey of (E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide?
The InChIKey is UUFRMHYWMBOURM-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H27NO3/c1-7-9-13(16)15-12(8-2)14(17-10(3)4)18-11(5)6/h7,9-12,14H,8H2,1-6H3,(H,15,16)/b9-7+.
What are the key properties of (E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide?
(E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide has a molecular weight of 257.37 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide is sourced from PubChem (CID 19376147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).