N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide

C19H21NO3 — CID 102225062

IUPACN-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide
SMILESCOc1cc(NC(C)=O)c(/C(C)=C/c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO3/c1-13(10-15-8-6-5-7-9-15)16-11-18(22-3)19(23-4)12-17(16)20-14(2)21/h5-12H,1-4H3,(H,20,21)/b13-10+
InChIKeyJRUJPGZQTOXTNT-JLHYYAGUSA-N
MW311.38 g/mol
LogP4.22
Rot. Bonds5

About N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide

N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide (PubChem CID 102225062) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide
PubChem CID102225062
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide
SMILESCOc1cc(NC(C)=O)c(/C(C)=C/c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO3/c1-13(10-15-8-6-5-7-9-15)16-11-18(22-3)19(23-4)12-17(16)20-14(2)21/h5-12H,1-4H3,(H,20,21)/b13-10+
InChIKeyJRUJPGZQTOXTNT-JLHYYAGUSA-N
XLogP4.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene
CID 91348140
N-[5-methyl-2-(1-phenylprop-1-en-2-yl)phenyl]acetamide
CID 135306317
4,5-dimethoxy-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 71741197
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 9108507
2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-4,5-dimethoxybenzoic acid
CID 45427989
methyl 4,5-dimethoxy-2-[[(E)-2-methyl-3-naphthalen-2-ylprop-2-enoyl]amino]benzoate
CID 22724995
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
CID 889648
2-[[2-(2-carboxyphenyl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 17341130
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
N-(4-acetamido-2,5-dimethoxyphenyl)-2-iodobenzamide
CID 4112051

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide?
The IUPAC name of N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide (CID 102225062) is N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide is COc1cc(NC(C)=O)c(/C(C)=C/c2ccccc2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide?
The InChIKey is JRUJPGZQTOXTNT-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(10-15-8-6-5-7-9-15)16-11-18(22-3)19(23-4)12-17(16)20-14(2)21/h5-12H,1-4H3,(H,20,21)/b13-10+.
What are the key properties of N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide?
N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide has a molecular weight of 311.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide is sourced from PubChem (CID 102225062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).