(E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide

C19H21NO3 — CID 110498603

IUPAC(E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-20(14-17-6-4-3-5-7-17)19(21)13-10-16-8-11-18(12-9-16)23-15-22-2/h3-13H,14-15H2,1-2H3/b13-10+
InChIKeyNGQYMJVHJHICHV-JLHYYAGUSA-N
MW311.38 g/mol
LogP3.34
Rot. Bonds7

About (E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide

(E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide (PubChem CID 110498603) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide
PubChem CID110498603
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c1-20(14-17-6-4-3-5-7-17)19(21)13-10-16-8-11-18(12-9-16)23-15-22-2/h3-13H,14-15H2,1-2H3/b13-10+
InChIKeyNGQYMJVHJHICHV-JLHYYAGUSA-N
XLogP3.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
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-benzyl-3-(4-ethoxy-3-methoxyphenyl)-N-methylprop-2-enamide
CID 719551
(E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide
CID 110498588
(E)-N-[benzyl(methyl)carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227324
N-benzyl-3-(2,6-dimethoxyphenyl)-N-methylprop-2-enamide
CID 5037434
3-[[(E)-3-[4-(methoxymethoxy)phenyl]prop-2-enoyl]-propylamino]propanoic acid
CID 110498642
(E)-N-benzyl-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-methylprop-2-enamide
CID 26534654
(E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide
CID 35687554
N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 78774303
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[(3-cyanophenyl)methyl]-N-methylprop-2-enamide
CID 56808077
N-benzyl-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methylprop-2-enamide
CID 78774345
2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-methylamino]acetic acid
CID 43092174
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide (CID 110498603) is (E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide is COCOc1ccc(/C=C/C(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of (E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide?
The InChIKey is NGQYMJVHJHICHV-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H21NO3/c1-20(14-17-6-4-3-5-7-17)19(21)13-10-16-8-11-18(12-9-16)23-15-22-2/h3-13H,14-15H2,1-2H3/b13-10+.
What are the key properties of (E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide?
(E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-[4-(methoxymethoxy)phenyl]-N-methylprop-2-enamide is sourced from PubChem (CID 110498603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).