N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide

C18H19NO2 — CID 768470

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
SMILESCOc1ccc(CCNC(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-21-17-10-7-16(8-11-17)13-14-19-18(20)12-9-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,19,20)
InChIKeyCHPUDVNXYIZPKX-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.07
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide

N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide (PubChem CID 768470) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
PubChem CID768470
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide
SMILESCOc1ccc(CCNC(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-21-17-10-7-16(8-11-17)13-14-19-18(20)12-9-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,19,20)
InChIKeyCHPUDVNXYIZPKX-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(+-)-Aegeline
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4-Methoxy-N-methylbenzeneethanamine
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Propanamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide (CID 768470) is N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide is COc1ccc(CCNC(=O)C=Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is CHPUDVNXYIZPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-17-10-7-16(8-11-17)13-14-19-18(20)12-9-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide?
N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 768470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).