N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide

C18H27NO5 — CID 126839435

IUPACN-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCCOC(COCCNC(=O)C=Cc1ccccc1OC)OCC
InChIInChI=1S/C18H27NO5/c1-4-23-18(24-5-2)14-22-13-12-19-17(20)11-10-15-8-6-7-9-16(15)21-3/h6-11,18H,4-5,12-14H2,1-3H3,(H,19,20)
InChIKeyFZOPZSHZLPPEBH-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.24
Rot. Bonds12

About N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide

N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 126839435) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID126839435
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC NameN-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCCOC(COCCNC(=O)C=Cc1ccccc1OC)OCC
InChIInChI=1S/C18H27NO5/c1-4-23-18(24-5-2)14-22-13-12-19-17(20)11-10-15-8-6-7-9-16(15)21-3/h6-11,18H,4-5,12-14H2,1-3H3,(H,19,20)
InChIKeyFZOPZSHZLPPEBH-UHFFFAOYSA-N
XLogP2.24
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378
(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555515
5-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpentanoic acid
CID 104682529
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
(E)-3-(5-bromo-2-methoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555434
(E)-3-(2-methoxyphenyl)-N-[(2R)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 40648014
(E)-N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 9217685
(E)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 2176452
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
ethyl 2-[3-(2-methoxyphenyl)prop-2-enoylamino]propanoate
CID 76898175

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 126839435) is N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide is CCOC(COCCNC(=O)C=Cc1ccccc1OC)OCC.
What is the InChIKey of N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is FZOPZSHZLPPEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-4-23-18(24-5-2)14-22-13-12-19-17(20)11-10-15-8-6-7-9-16(15)21-3/h6-11,18H,4-5,12-14H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide?
N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 337.42 g/mol, XLogP of 2.24, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-diethoxyethoxy)ethyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 126839435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).