(2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide

C24H30N2O2 — CID 71733525

IUPAC(2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide
SMILESCCN(CC)C(=O)/C=C1\CC(COCc2ccccc2)N(C)c2ccccc21
InChIInChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)16-20-15-21(18-28-17-19-11-7-6-8-12-19)25(3)23-14-10-9-13-22(20)23/h6-14,16,21H,4-5,15,17-18H2,1-3H3/b20-16+
InChIKeyCDFLGDWWFOTYOH-CAPFRKAQSA-N
MW378.52 g/mol
LogP4.36
Rot. Bonds7

About (2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide

(2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide (PubChem CID 71733525) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide.

Molecular Properties

Compound Name(2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide
PubChem CID71733525
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide
SMILESCCN(CC)C(=O)/C=C1\CC(COCc2ccccc2)N(C)c2ccccc21
InChIInChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)16-20-15-21(18-28-17-19-11-7-6-8-12-19)25(3)23-14-10-9-13-22(20)23/h6-14,16,21H,4-5,15,17-18H2,1-3H3/b20-16+
InChIKeyCDFLGDWWFOTYOH-CAPFRKAQSA-N
XLogP4.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl (2S,4R)-4-methyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 130998757
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CID 175214238
benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
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CID 70968693
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Frequently Asked Questions

What is the IUPAC name of (2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide?
The IUPAC name of (2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide (CID 71733525) is (2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide.
What is the SMILES notation for (2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide?
The canonical SMILES for (2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide is CCN(CC)C(=O)/C=C1\CC(COCc2ccccc2)N(C)c2ccccc21.
What is the InChIKey of (2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide?
The InChIKey is CDFLGDWWFOTYOH-CAPFRKAQSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-4-26(5-2)24(27)16-20-15-21(18-28-17-19-11-7-6-8-12-19)25(3)23-14-10-9-13-22(20)23/h6-14,16,21H,4-5,15,17-18H2,1-3H3/b20-16+.
What are the key properties of (2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide?
(2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide has a molecular weight of 378.52 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N-diethyl-2-[1-methyl-2-(phenylmethoxymethyl)-2,3-dihydroquinolin-4-ylidene]acetamide is sourced from PubChem (CID 71733525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).