(E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide

C28H31N3O2 — CID 56564244

IUPAC(E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(-c2ccccc2)c1)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C28H31N3O2/c32-28(11-10-24-6-4-9-27(22-24)26-7-2-1-3-8-26)31(23-25-12-14-29-15-13-25)17-5-16-30-18-20-33-21-19-30/h1-4,6-15,22H,5,16-21,23H2/b11-10+
InChIKeyCIICZHTWFBPWEN-ZHACJKMWSA-N
MW441.58 g/mol
LogP4.51
Rot. Bonds9

About (E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide

(E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide (PubChem CID 56564244) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is (E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
PubChem CID56564244
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name(E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(-c2ccccc2)c1)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C28H31N3O2/c32-28(11-10-24-6-4-9-27(22-24)26-7-2-1-3-8-26)31(23-25-12-14-29-15-13-25)17-5-16-30-18-20-33-21-19-30/h1-4,6-15,22H,5,16-21,23H2/b11-10+
InChIKeyCIICZHTWFBPWEN-ZHACJKMWSA-N
XLogP4.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 55488088
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 6012187
N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide
CID 56564213
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
(E)-N-[[4-[(2-methyl-4-pyridinyl)amino]phenyl]methyl]-N-(3-morpholin-4-ylpropyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 90423002
3-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 56564506
(E)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-[[3-[3-[(2-methylpropylamino)methyl]phenyl]phenyl]methyl]-3-phenylprop-2-enamide
CID 44534821
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 56564212
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
CID 6004837
N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide
CID 56564245
(E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 22764059
5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 56536352

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide (CID 56564244) is (E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide is O=C(/C=C/c1cccc(-c2ccccc2)c1)N(CCCN1CCOCC1)Cc1ccncc1.
What is the InChIKey of (E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
The InChIKey is CIICZHTWFBPWEN-ZHACJKMWSA-N. The full InChI is InChI=1S/C28H31N3O2/c32-28(11-10-24-6-4-9-27(22-24)26-7-2-1-3-8-26)31(23-25-12-14-29-15-13-25)17-5-16-30-18-20-33-21-19-30/h1-4,6-15,22H,5,16-21,23H2/b11-10+.
What are the key properties of (E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide?
(E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide has a molecular weight of 441.58 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 56564244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).