3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide

C23H23NO3 — CID 3440540

IUPAC3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
SMILESCCCOc1ccc(C=CC(=O)Nc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C23H23NO3/c1-3-14-27-21-12-8-17(15-22(21)26-2)9-13-23(25)24-20-11-10-18-6-4-5-7-19(18)16-20/h4-13,15-16H,3,14H2,1-2H3,(H,24,25)
InChIKeyYQRCUZJNLQVTLA-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.29
Rot. Bonds7

About 3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide

3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide (PubChem CID 3440540) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide.

Molecular Properties

Compound Name3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
PubChem CID3440540
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
SMILESCCCOc1ccc(C=CC(=O)Nc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C23H23NO3/c1-3-14-27-21-12-8-17(15-22(21)26-2)9-13-23(25)24-20-11-10-18-6-4-5-7-19(18)16-20/h4-13,15-16H,3,14H2,1-2H3,(H,24,25)
InChIKeyYQRCUZJNLQVTLA-UHFFFAOYSA-N
XLogP5.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 4094107
3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-naphthalen-2-ylprop-2-enamide
CID 4851858
(E)-N-(3-ethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 60533788
(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953593
N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 3477452
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
propyl 4-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3440541
3-(3-methoxy-4-propoxyphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3477866
N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 5127825
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2788614
methyl 2-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4224140
(E)-3-(4-hexoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534554

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide?
The IUPAC name of 3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide (CID 3440540) is 3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide.
What is the SMILES notation for 3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide?
The canonical SMILES for 3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide is CCCOc1ccc(C=CC(=O)Nc2ccc3ccccc3c2)cc1OC.
What is the InChIKey of 3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide?
The InChIKey is YQRCUZJNLQVTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-3-14-27-21-12-8-17(15-22(21)26-2)9-13-23(25)24-20-11-10-18-6-4-5-7-19(18)16-20/h4-13,15-16H,3,14H2,1-2H3,(H,24,25).
What are the key properties of 3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide?
3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide has a molecular weight of 361.44 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide is sourced from PubChem (CID 3440540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).