(E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

C22H28N2O4 — CID 55979626

IUPAC(E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCOCCN(Cc1ccccn1)C(=O)/C=C/c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-17(2)28-20-10-8-18(15-21(20)27-4)9-11-22(25)24(13-14-26-3)16-19-7-5-6-12-23-19/h5-12,15,17H,13-14,16H2,1-4H3/b11-9+
InChIKeyKIODPIXTWZSWDE-PKNBQFBNSA-N
MW384.48 g/mol
LogP3.57
Rot. Bonds10

About (E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

(E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 55979626) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID55979626
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCOCCN(Cc1ccccn1)C(=O)/C=C/c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-17(2)28-20-10-8-18(15-21(20)27-4)9-11-22(25)24(13-14-26-3)16-19-7-5-6-12-23-19/h5-12,15,17H,13-14,16H2,1-4H3/b11-9+
InChIKeyKIODPIXTWZSWDE-PKNBQFBNSA-N
XLogP3.57
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide with MolForge

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Related Compounds

(E)-N-(2-methoxyethyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 55985412
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
(E)-3-(4-butoxy-3-methoxyphenyl)-N-cyclopropyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 55408748
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 24655695
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 85497226
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 60535776
N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 74346559
(E)-N,N-bis(2-methoxyethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24891342
3-pyridin-4-ylpropyl (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 78772166
3-(4-ethoxy-3-methoxyphenyl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 719513

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 55979626) is (E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is COCCN(Cc1ccccn1)C(=O)/C=C/c1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of (E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is KIODPIXTWZSWDE-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-17(2)28-20-10-8-18(15-21(20)27-4)9-11-22(25)24(13-14-26-3)16-19-7-5-6-12-23-19/h5-12,15,17H,13-14,16H2,1-4H3/b11-9+.
What are the key properties of (E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
(E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 384.48 g/mol, XLogP of 3.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 55979626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).