(Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide

C23H26N4O2 — CID 108863102

IUPAC(Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESN#C/C(=C/N(Cc1ccccc1)c1ccccc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C23H26N4O2/c24-17-21(23(28)25-11-12-26-13-15-29-16-14-26)19-27(22-9-5-2-6-10-22)18-20-7-3-1-4-8-20/h1-10,19H,11-16,18H2,(H,25,28)/b21-19-
InChIKeyFLQHHWXAQPPHKY-VZCXRCSSSA-N
MW390.49 g/mol
LogP2.55
Rot. Bonds8

About (Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide

(Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide (PubChem CID 108863102) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide
PubChem CID108863102
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESN#C/C(=C/N(Cc1ccccc1)c1ccccc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C23H26N4O2/c24-17-21(23(28)25-11-12-26-13-15-29-16-14-26)19-27(22-9-5-2-6-10-22)18-20-7-3-1-4-8-20/h1-10,19H,11-16,18H2,(H,25,28)/b21-19-
InChIKeyFLQHHWXAQPPHKY-VZCXRCSSSA-N
XLogP2.55
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(N-benzylanilino)-N-(3-chloropropyl)-2-cyanoprop-2-enamide
CID 108854199
(Z)-2-cyano-3-(2-morpholin-4-ylethylamino)-N-(2-phenylethyl)prop-2-enamide
CID 108835157
(Z)-3-(N-acetyl-4-aminoanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108862891
(Z)-3-(N-benzylanilino)-N-(3-butoxypropyl)-2-cyanoprop-2-enamide
CID 108837106
(Z)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863075
N'-benzyl-N'-ethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517517
(Z)-2-cyano-3-(N-ethylanilino)-N-(2-phenylethyl)prop-2-enamide
CID 108835165
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108862908
(Z)-3-[[3-(aminomethyl)phenyl]methylamino]-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863021
(Z)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(pyridin-3-ylmethylamino)prop-2-enamide
CID 108862942
(Z)-3-(N-benzylanilino)-2-(4-benzylpiperidine-1-carbonyl)prop-2-enenitrile
CID 108838225
(E)-2-cyano-3-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 842847

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The IUPAC name of (Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide (CID 108863102) is (Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide is N#C/C(=C/N(Cc1ccccc1)c1ccccc1)C(=O)NCCN1CCOCC1.
What is the InChIKey of (Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The InChIKey is FLQHHWXAQPPHKY-VZCXRCSSSA-N. The full InChI is InChI=1S/C23H26N4O2/c24-17-21(23(28)25-11-12-26-13-15-29-16-14-26)19-27(22-9-5-2-6-10-22)18-20-7-3-1-4-8-20/h1-10,19H,11-16,18H2,(H,25,28)/b21-19-.
What are the key properties of (Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide?
(Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide has a molecular weight of 390.49 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide is sourced from PubChem (CID 108863102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).