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

C25H27NO3 — CID 4094107

IUPAC3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
SMILESCCCCCOc1ccc(C=CC(=O)Nc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C25H27NO3/c1-3-4-7-16-29-23-14-10-19(17-24(23)28-2)11-15-25(27)26-22-13-12-20-8-5-6-9-21(20)18-22/h5-6,8-15,17-18H,3-4,7,16H2,1-2H3,(H,26,27)
InChIKeyHXHVTLZGZCJUGC-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.07
Rot. Bonds9

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

3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide (PubChem CID 4094107) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide.

Molecular Properties

Compound Name3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
PubChem CID4094107
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
SMILESCCCCCOc1ccc(C=CC(=O)Nc2ccc3ccccc3c2)cc1OC
InChIInChI=1S/C25H27NO3/c1-3-4-7-16-29-23-14-10-19(17-24(23)28-2)11-15-25(27)26-22-13-12-20-8-5-6-9-21(20)18-22/h5-6,8-15,17-18H,3-4,7,16H2,1-2H3,(H,26,27)
InChIKeyHXHVTLZGZCJUGC-UHFFFAOYSA-N
XLogP6.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 3440540
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-naphthalen-2-ylprop-2-enamide
CID 4851858
(E)-3-(4-hexoxy-3-methoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534554
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2788614
3-(4-hexoxy-3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 2791081
N-(2-ethylphenyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 3433188
butyl 4-[[(E)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19169814
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide
CID 55744196
(E)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 19165851
N-(1,3-benzodioxol-5-yl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide
CID 3433192

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide?
The IUPAC name of 3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide (CID 4094107) is 3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide.
What is the SMILES notation for 3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide?
The canonical SMILES for 3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide is CCCCCOc1ccc(C=CC(=O)Nc2ccc3ccccc3c2)cc1OC.
What is the InChIKey of 3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide?
The InChIKey is HXHVTLZGZCJUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-3-4-7-16-29-23-14-10-19(17-24(23)28-2)11-15-25(27)26-22-13-12-20-8-5-6-9-21(20)18-22/h5-6,8-15,17-18H,3-4,7,16H2,1-2H3,(H,26,27).
What are the key properties of 3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide?
3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide has a molecular weight of 389.50 g/mol, XLogP of 6.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide is sourced from PubChem (CID 4094107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).