(E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide

C25H26N2O3 — CID 84559480

IUPAC(E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1/C=C/C(=O)Nc1ncccc1OCc1ccccc1C
InChIInChI=1S/C25H26N2O3/c1-3-17-29-22-12-7-6-10-20(22)14-15-24(28)27-25-23(13-8-16-26-25)30-18-21-11-5-4-9-19(21)2/h4-16H,3,17-18H2,1-2H3,(H,26,27,28)/b15-14+
InChIKeyKZQBWRQEYVHHIR-CCEZHUSRSA-N
MW402.49 g/mol
LogP5.41
Rot. Bonds9

About (E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide

(E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide (PubChem CID 84559480) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is (E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide
PubChem CID84559480
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name(E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1/C=C/C(=O)Nc1ncccc1OCc1ccccc1C
InChIInChI=1S/C25H26N2O3/c1-3-17-29-22-12-7-6-10-20(22)14-15-24(28)27-25-23(13-8-16-26-25)30-18-21-11-5-4-9-19(21)2/h4-16H,3,17-18H2,1-2H3,(H,26,27,28)/b15-14+
InChIKeyKZQBWRQEYVHHIR-CCEZHUSRSA-N
XLogP5.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84560046
(E)-3-(3-fluorophenyl)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]prop-2-enamide
CID 84562015
(E)-4-[2-[(2-methylphenyl)methoxy]phenyl]but-3-en-2-one
CID 82184699
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
N-naphthalen-1-yl-3-(2-propoxyphenyl)prop-2-enamide
CID 4089044
4-tert-butyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84559706
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84558608
5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide
CID 84558997
N-(3,5-dichlorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278421
2-(4-chlorophenoxy)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]acetamide
CID 84559835
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-4-pyrrol-1-ylbenzamide
CID 84559658

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide (CID 84559480) is (E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide is CCCOc1ccccc1/C=C/C(=O)Nc1ncccc1OCc1ccccc1C.
What is the InChIKey of (E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide?
The InChIKey is KZQBWRQEYVHHIR-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-17-29-22-12-7-6-10-20(22)14-15-24(28)27-25-23(13-8-16-26-25)30-18-21-11-5-4-9-19(21)2/h4-16H,3,17-18H2,1-2H3,(H,26,27,28)/b15-14+.
What are the key properties of (E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide?
(E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide has a molecular weight of 402.49 g/mol, XLogP of 5.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-3-(2-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 84559480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).