(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide

C21H24N2O2 — CID 26972711

IUPAC(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-22(21(24)12-9-18-5-3-2-4-6-18)17-19-7-10-20(11-8-19)23-13-15-25-16-14-23/h2-12H,13-17H2,1H3/b12-9+
InChIKeyTZXPQQXVYONEJE-FMIVXFBMSA-N
MW336.44 g/mol
LogP3.19
Rot. Bonds5

About (E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide

(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide (PubChem CID 26972711) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide
PubChem CID26972711
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-22(21(24)12-9-18-5-3-2-4-6-18)17-19-7-10-20(11-8-19)23-13-15-25-16-14-23/h2-12H,13-17H2,1H3/b12-9+
InChIKeyTZXPQQXVYONEJE-FMIVXFBMSA-N
XLogP3.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 26972999
(E)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]prop-2-enamide
CID 26972753
(E)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 38105491
3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide
CID 72689409
(E)-3-[1-(2-cyanoethyl)indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]prop-2-enamide
CID 26972976
1-[3-[[methyl-[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]piperidine-4-carboxylic acid
CID 110495363
(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]prop-2-enamide
CID 134013121
methyl (2S)-2-[(4-morpholin-4-ylphenyl)methyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoate
CID 67385049
(E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide
CID 46046494
tert-butyl N-methyl-N-[2-[methyl-[2-[(4-morpholin-4-ylphenyl)methyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-3-phenylpropanoyl]amino]ethyl]carbamate
CID 67385111
N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide
CID 24532594
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(4-morpholin-4-ylphenyl)methyl-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]amino]-3-phenylpropanamide
CID 67367812

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide (CID 26972711) is (E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide?
The InChIKey is TZXPQQXVYONEJE-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-22(21(24)12-9-18-5-3-2-4-6-18)17-19-7-10-20(11-8-19)23-13-15-25-16-14-23/h2-12H,13-17H2,1H3/b12-9+.
What are the key properties of (E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide?
(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 26972711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).