N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide

C13H15NO3 — CID 169465711

IUPACN-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide
SMILESCOc1ccc(C=CCNC(C)=O)c(C=O)c1
InChIInChI=1S/C13H15NO3/c1-10(16)14-7-3-4-11-5-6-13(17-2)8-12(11)9-15/h3-6,8-9H,7H2,1-2H3,(H,14,16)
InChIKeyYVFVTYATJLPSFO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.66
Rot. Bonds5

About N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide

N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide (PubChem CID 169465711) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide
PubChem CID169465711
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide
SMILESCOc1ccc(C=CCNC(C)=O)c(C=O)c1
InChIInChI=1S/C13H15NO3/c1-10(16)14-7-3-4-11-5-6-13(17-2)8-12(11)9-15/h3-6,8-9H,7H2,1-2H3,(H,14,16)
InChIKeyYVFVTYATJLPSFO-UHFFFAOYSA-N
XLogP1.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
N-[3-(4-amino-2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465555
3-(2-formyl-4-methoxyphenyl)prop-2-enamide
CID 169481996
N-[4-(2,5-dimethoxyphenyl)but-3-enyl]acetamide
CID 170488942
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
2-[4-methoxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]acetic acid
CID 169468368
4-methoxy-2-(3-sulfanylprop-1-enyl)benzaldehyde
CID 169455417
N-[3-(2,6-difluoro-4-methoxyphenyl)prop-2-enyl]acetamide
CID 169466749
4-methoxy-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496009
N-[3-(2-amino-5-methoxy-3-nitrophenyl)prop-2-enyl]acetamide
CID 169466328
N-[3-(2-fluoro-5-methoxyphenyl)prop-2-enyl]-2-methylpropanamide
CID 54485824
5-methoxy-2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474148

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide (CID 169465711) is N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide is COc1ccc(C=CCNC(C)=O)c(C=O)c1.
What is the InChIKey of N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide?
The InChIKey is YVFVTYATJLPSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-10(16)14-7-3-4-11-5-6-13(17-2)8-12(11)9-15/h3-6,8-9H,7H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide?
N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-formyl-4-methoxyphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).