(E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide

C20H22N2O3 — CID 75407392

IUPAC(E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccnc(OC2CCOCC2)c1
InChIInChI=1S/C20H22N2O3/c23-19(7-6-16-4-2-1-3-5-16)22-15-17-8-11-21-20(14-17)25-18-9-12-24-13-10-18/h1-8,11,14,18H,9-10,12-13,15H2,(H,22,23)/b7-6+
InChIKeyPRLJCBMBXAYDTE-VOTSOKGWSA-N
MW338.41 g/mol
LogP2.97
Rot. Bonds6

About (E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide

(E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide (PubChem CID 75407392) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
PubChem CID75407392
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccnc(OC2CCOCC2)c1
InChIInChI=1S/C20H22N2O3/c23-19(7-6-16-4-2-1-3-5-16)22-15-17-8-11-21-20(14-17)25-18-9-12-24-13-10-18/h1-8,11,14,18H,9-10,12-13,15H2,(H,22,23)/b7-6+
InChIKeyPRLJCBMBXAYDTE-VOTSOKGWSA-N
XLogP2.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide with MolForge

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Related Compounds

2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977266
3-[[[2-(oxan-4-yloxy)-4-pyridinyl]methylamino]methyl]benzoic acid
CID 122031287
3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide
CID 72689438
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-morpholin-4-ylbenzamide
CID 60612889
(E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
CID 117055113
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-hydroxy-2-phenylacetamide
CID 75393518
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 129381997
1-cyclopent-3-en-1-yl-3-[[2-[(3S)-oxolan-3-yl]oxy-4-pyridinyl]methyl]urea
CID 97330579
(E)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 55679256
2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 119160012
2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 119146113
(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
CID 94801440

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide (CID 75407392) is (E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCc1ccnc(OC2CCOCC2)c1.
What is the InChIKey of (E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide?
The InChIKey is PRLJCBMBXAYDTE-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(7-6-16-4-2-1-3-5-16)22-15-17-8-11-21-20(14-17)25-18-9-12-24-13-10-18/h1-8,11,14,18H,9-10,12-13,15H2,(H,22,23)/b7-6+.
What are the key properties of (E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide?
(E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 75407392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).