(E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide

C19H27NO2 — CID 58901335

IUPAC(E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide
SMILESCC(C)C[C@H](C(=O)C(C)C)N(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H27NO2/c1-14(2)13-17(19(22)15(3)4)20(5)18(21)12-11-16-9-7-6-8-10-16/h6-12,14-15,17H,13H2,1-5H3/b12-11+/t17-/m1/s1
InChIKeyVZDXXZNLTHIKPC-FMQWLBJXSA-N
MW301.43 g/mol
LogP3.80
Rot. Bonds7

About (E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide

(E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide (PubChem CID 58901335) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide
PubChem CID58901335
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide
SMILESCC(C)C[C@H](C(=O)C(C)C)N(C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H27NO2/c1-14(2)13-17(19(22)15(3)4)20(5)18(21)12-11-16-9-7-6-8-10-16/h6-12,14-15,17H,13H2,1-5H3/b12-11+/t17-/m1/s1
InChIKeyVZDXXZNLTHIKPC-FMQWLBJXSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
(E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide
CID 61044170
2-methyl-N-phenyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 71306931
N-fluoro-3-phenyl-N-propan-2-ylprop-2-enamide
CID 54163690
(E)-N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 11184674
2-[3-(4-hydroxyphenyl)prop-2-enoyl-methylamino]butanoic acid
CID 76930543
(Z)-5-methyl-1-phenylhex-1-en-3-one
CID 92529574
(E)-N-methyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 17480995
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
N-methyl-N-[(2-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 102603359
2-methyl-3-[[(E)-3-phenylprop-2-enoyl]-prop-2-enylamino]propanoic acid
CID 82325981
N-(1-amino-3-methylbutyl)-3-phenylprop-2-enamide;hydrochloride
CID 69039299

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide (CID 58901335) is (E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide is CC(C)C[C@H](C(=O)C(C)C)N(C)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide?
The InChIKey is VZDXXZNLTHIKPC-FMQWLBJXSA-N. The full InChI is InChI=1S/C19H27NO2/c1-14(2)13-17(19(22)15(3)4)20(5)18(21)12-11-16-9-7-6-8-10-16/h6-12,14-15,17H,13H2,1-5H3/b12-11+/t17-/m1/s1.
What are the key properties of (E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide?
(E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide has a molecular weight of 301.43 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4R)-2,6-dimethyl-3-oxoheptan-4-yl]-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 58901335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).