N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide

C20H23NO3 — CID 169466602

IUPACN-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide
SMILESCCOc1cc(C=CCNC(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C20H23NO3/c1-3-23-20-14-17(10-7-13-21-16(2)22)11-12-19(20)24-15-18-8-5-4-6-9-18/h4-12,14H,3,13,15H2,1-2H3,(H,21,22)
InChIKeyNCKUJSVWMHDQBI-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.81
Rot. Bonds8

About N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide

N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide (PubChem CID 169466602) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide
PubChem CID169466602
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide
SMILESCCOc1cc(C=CCNC(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C20H23NO3/c1-3-23-20-14-17(10-7-13-21-16(2)22)11-12-19(20)24-15-18-8-5-4-6-9-18/h4-12,14H,3,13,15H2,1-2H3,(H,21,22)
InChIKeyNCKUJSVWMHDQBI-UHFFFAOYSA-N
XLogP3.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate
CID 169472836
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
2-[[(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102534978
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
(E)-4-(3,4-diethoxyphenyl)but-3-enoic acid
CID 102534267
3-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 22684129
N-[3-(2-ethoxyphenyl)prop-2-enyl]acetamide
CID 169465357
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
CID 6117131
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
S-[3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl] ethanethioate
CID 169458371

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide (CID 169466602) is N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide is CCOc1cc(C=CCNC(C)=O)ccc1OCc1ccccc1.
What is the InChIKey of N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide?
The InChIKey is NCKUJSVWMHDQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-23-20-14-17(10-7-13-21-16(2)22)11-12-19(20)24-15-18-8-5-4-6-9-18/h4-12,14H,3,13,15H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide?
N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).