N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

C21H23NO3 — CID 91362807

IUPACN-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCC=Cc1c(CC)cccc1NC(=O)C=Cc1ccc(OC)c(O)c1
InChIInChI=1S/C21H23NO3/c1-4-7-17-16(5-2)8-6-9-18(17)22-21(24)13-11-15-10-12-20(25-3)19(23)14-15/h4,6-14,23H,5H2,1-3H3,(H,22,24)
InChIKeyLDQGKIXPGAZDBR-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.65
Rot. Bonds6

About N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide (PubChem CID 91362807) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
PubChem CID91362807
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCC=Cc1c(CC)cccc1NC(=O)C=Cc1ccc(OC)c(O)c1
InChIInChI=1S/C21H23NO3/c1-4-7-17-16(5-2)8-6-9-18(17)22-21(24)13-11-15-10-12-20(25-3)19(23)14-15/h4,6-14,23H,5H2,1-3H3,(H,22,24)
InChIKeyLDQGKIXPGAZDBR-UHFFFAOYSA-N
XLogP4.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-methylindazol-7-yl)prop-2-enamide
CID 45378139
N-(2,6-diethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 1189011
(1E,6E)-1-(2-hydroxy-6-methoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552536
3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]prop-2-enamide
CID 67340064
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 155559259
(E)-N-(3-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 45376337
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
1-(2,6-dimethoxyphenyl)-7-(3-hydroxy-4-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68553890
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[3-(4-methylpiperazin-1-yl)phenoxy]methyl]phenyl]prop-2-enamide
CID 67338219
N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 3433188
N-[3-chloro-2-(pyridin-4-ylmethoxy)phenyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 67338115
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]prop-2-enamide
CID 67338145

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide (CID 91362807) is N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is CC=Cc1c(CC)cccc1NC(=O)C=Cc1ccc(OC)c(O)c1.
What is the InChIKey of N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The InChIKey is LDQGKIXPGAZDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-4-7-17-16(5-2)8-6-9-18(17)22-21(24)13-11-15-10-12-20(25-3)19(23)14-15/h4,6-14,23H,5H2,1-3H3,(H,22,24).
What are the key properties of N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-prop-1-enylphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 91362807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).