(Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile

C22H23N3O2 — CID 108843721

IUPAC(Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C22H23N3O2/c23-15-21(22(26)25-11-13-27-14-12-25)18-24(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-10,18H,11-14,16-17H2/b21-18-
InChIKeyXQLBPVFXOGEKDQ-UZYVYHOESA-N
MW361.45 g/mol
LogP2.96
Rot. Bonds6

About (Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile

(Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile (PubChem CID 108843721) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
PubChem CID108843721
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C22H23N3O2/c23-15-21(22(26)25-11-13-27-14-12-25)18-24(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-10,18H,11-14,16-17H2/b21-18-
InChIKeyXQLBPVFXOGEKDQ-UZYVYHOESA-N
XLogP2.96
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylanilino)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843698
(Z)-3-[benzyl(ethyl)amino]-2-(4-benzylpiperazine-1-carbonyl)prop-2-enenitrile
CID 108861563
(Z)-3-(4-benzylpiperidin-1-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843608
(Z)-3-(N-benzylanilino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
CID 108819996
(Z)-3-[ethyl(2-hydroxyethyl)amino]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843734
(Z)-3-(N-benzylanilino)-2-(4-benzylpiperidine-1-carbonyl)prop-2-enenitrile
CID 108838225
1-[(Z)-3-(N-benzylanilino)-2-cyanoprop-2-enoyl]piperidine-4-carboxylic acid
CID 108832281
2-(morpholine-4-carbonyl)-3-(4-phenylmethoxyanilino)prop-2-enenitrile
CID 4603539
(Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108842244
(Z)-3-(N-benzylanilino)-2-cyano-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 108863102
(Z)-3-(3,5-diiodo-4-phenylmethoxyphenyl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 126098442
(Z)-2-(4-benzylpiperazine-1-carbonyl)-3-[ethyl(2-hydroxyethyl)amino]prop-2-enenitrile
CID 108861579

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile (CID 108843721) is (Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile is N#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of (Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
The InChIKey is XQLBPVFXOGEKDQ-UZYVYHOESA-N. The full InChI is InChI=1S/C22H23N3O2/c23-15-21(22(26)25-11-13-27-14-12-25)18-24(16-19-7-3-1-4-8-19)17-20-9-5-2-6-10-20/h1-10,18H,11-14,16-17H2/b21-18-.
What are the key properties of (Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile?
(Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile has a molecular weight of 361.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dibenzylamino)-2-(morpholine-4-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 108843721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).