(E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one

C19H22N2O4 — CID 155338392

IUPAC(E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one
SMILESCOCOc1cnc(OCc2ccccc2)cc1C(=O)/C=C/N(C)C
InChIInChI=1S/C19H22N2O4/c1-21(2)10-9-17(22)16-11-19(20-12-18(16)25-14-23-3)24-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3/b10-9+
InChIKeyMJEPOZNEQLEPBM-MDZDMXLPSA-N
MW342.40 g/mol
LogP2.90
Rot. Bonds9

About (E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one

(E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one (PubChem CID 155338392) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one
PubChem CID155338392
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one
SMILESCOCOc1cnc(OCc2ccccc2)cc1C(=O)/C=C/N(C)C
InChIInChI=1S/C19H22N2O4/c1-21(2)10-9-17(22)16-11-19(20-12-18(16)25-14-23-3)24-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3/b10-9+
InChIKeyMJEPOZNEQLEPBM-MDZDMXLPSA-N
XLogP2.90
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

3-(dimethylamino)-1-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 75210946
(E)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 59999680
(E)-3-(dimethylamino)-1-[2-hydroxy-3-methoxy-4-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 176889406
3-(dimethylamino)-1-[2-phenylmethoxy-5-(2-propan-2-ylanilino)phenyl]prop-2-en-1-one
CID 142680328
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884
3-acetyl-4,6-bis(methoxymethoxy)-2-phenylmethoxybenzaldehyde
CID 146193205
(E)-3-(dimethylamino)-1-[4-phenylmethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-en-1-one
CID 171853439
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
1-[4-(3,4-difluoropyrrol-1-yl)-2-phenylmethoxyphenyl]-3-[3-(dimethylamino)prop-2-enoyl]-5-methoxypyridazin-4-one
CID 71272472
ethane;ethyl (E)-3-[(4-methyl-6-phenylmethoxy-3-pyridinyl)oxy]but-2-enoate
CID 170599688
3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826440
1,3-bis(4-hydroxy-2-phenylmethoxyphenyl)prop-2-en-1-one
CID 139808020

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one (CID 155338392) is (E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one is COCOc1cnc(OCc2ccccc2)cc1C(=O)/C=C/N(C)C.
What is the InChIKey of (E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one?
The InChIKey is MJEPOZNEQLEPBM-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-21(2)10-9-17(22)16-11-19(20-12-18(16)25-14-23-3)24-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3/b10-9+.
What are the key properties of (E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one?
(E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one has a molecular weight of 342.40 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-[5-(methoxymethoxy)-2-phenylmethoxy-4-pyridinyl]prop-2-en-1-one is sourced from PubChem (CID 155338392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).