(Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one

C27H29NO3 — CID 6912228

IUPAC(Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one
SMILESCCN(CC)CCOc1ccccc1O/C(=C\c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C27H29NO3/c1-3-28(4-2)19-20-30-24-17-11-12-18-25(24)31-26(21-22-13-7-5-8-14-22)27(29)23-15-9-6-10-16-23/h5-18,21H,3-4,19-20H2,1-2H3/b26-21-
InChIKeyCNJRWHSLVBNSNT-QLYXXIJNSA-N
MW415.53 g/mol
LogP5.71
Rot. Bonds11

About (Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one

(Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one (PubChem CID 6912228) has the molecular formula C27H29NO3 and a molecular weight of 415.53 g/mol. Its IUPAC name is (Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one
PubChem CID6912228
Molecular FormulaC27H29NO3
Molecular Weight415.53 g/mol
Exact Mass415.21
IUPAC Name(Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one
SMILESCCN(CC)CCOc1ccccc1O/C(=C\c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C27H29NO3/c1-3-28(4-2)19-20-30-24-17-11-12-18-25(24)31-26(21-22-13-7-5-8-14-22)27(29)23-15-9-6-10-16-23/h5-18,21H,3-4,19-20H2,1-2H3/b26-21-
InChIKeyCNJRWHSLVBNSNT-QLYXXIJNSA-N
XLogP5.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.53
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Etafenone
CID 3275
1-Propanone, 1-(2-(2-(diethylamino)ethoxy)phenyl)-3-phenyl-, hydrochloride (1:1)
CID 102220
2-(4-Benzoylphenoxy)-1-(morpholin-4-yl)ethan-1-one
CID 2457115
[4-[2-(Diethylamino)ethoxy]phenyl]phenylmethanone
CID 69931
1-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-methyl-2-phenylpentan-1-one
CID 132183376
4'-Methoxy-2-(2-methoxyphenoxy)acetophenone
CID 761236
1-(4-(2-Dimethylamino)-2-ethoxyphenyl butanone
CID 9861546
(4-(2-(Dimethylamino)ethoxy)phenyl)(phenyl)methanone
CID 11086807
Zocainone
CID 6435714
2-[2-ethoxy-4-[(Z)-(4-oxochromen-3-ylidene)methyl]phenoxy]-N,N-dimethylacetamide
CID 2697354
2-[2-ethoxy-4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenoxy]-N,N-dimethylacetamide
CID 6213060
1-[2-[2-(Diethylamino)ethoxy]phenyl]-2-phenylethanone
CID 10380767

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one (CID 6912228) is (Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one is CCN(CC)CCOc1ccccc1O/C(=C\c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of (Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one?
The InChIKey is CNJRWHSLVBNSNT-QLYXXIJNSA-N. The full InChI is InChI=1S/C27H29NO3/c1-3-28(4-2)19-20-30-24-17-11-12-18-25(24)31-26(21-22-13-7-5-8-14-22)27(29)23-15-9-6-10-16-23/h5-18,21H,3-4,19-20H2,1-2H3/b26-21-.
What are the key properties of (Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one?
(Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one has a molecular weight of 415.53 g/mol, XLogP of 5.71, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[2-[2-(diethylamino)ethoxy]phenoxy]-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 6912228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).