(Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide

C23H25N3O2 — CID 108840285

IUPAC(Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
SMILESCC1CN(/C=C(/C#N)C(=O)NC(c2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C23H25N3O2/c1-17-14-26(15-18(2)28-17)16-21(13-24)23(27)25-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,16-18,22H,14-15H2,1-2H3,(H,25,27)/b21-16-
InChIKeyUXPJHOZFEYJPFD-PGMHBOJBSA-N
MW375.47 g/mol
LogP3.41
Rot. Bonds5

About (Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide

(Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide (PubChem CID 108840285) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
PubChem CID108840285
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
SMILESCC1CN(/C=C(/C#N)C(=O)NC(c2ccccc2)c2ccccc2)CC(C)O1
InChIInChI=1S/C23H25N3O2/c1-17-14-26(15-18(2)28-17)16-21(13-24)23(27)25-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,16-18,22H,14-15H2,1-2H3,(H,25,27)/b21-16-
InChIKeyUXPJHOZFEYJPFD-PGMHBOJBSA-N
XLogP3.41
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
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)-N-benzhydryl-2-cyano-3-piperidin-1-ylprop-2-enamide
CID 108840370
(Z)-3-(benzhydrylamino)-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile
CID 108830645
(Z)-2-cyano-3-(2,6-dimethylmorpholin-4-yl)-N-(4-nitrophenyl)prop-2-enamide
CID 108852902
(Z)-N-(2-chloroethyl)-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
CID 108854394
(Z)-2-cyano-3-(2,6-dimethylmorpholin-4-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 108837301
(Z)-2-cyano-3-(2,6-dimethylmorpholin-4-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826155
(Z)-N-butyl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
CID 108833590
(Z)-N-benzhydryl-2-cyano-3-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-enamide
CID 108840563
(Z)-3-anilino-2-(2,6-dimethylmorpholine-4-carbonyl)prop-2-enenitrile
CID 108830737
(Z)-N-benzhydryl-3-[bis(2-methylpropyl)amino]-2-cyanoprop-2-enamide
CID 108840497
(Z)-N-benzhydryl-2-cyano-3-(2-ethylanilino)prop-2-enamide
CID 108840489
(Z)-N-benzhydryl-2-cyano-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108840258

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide?
The IUPAC name of (Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide (CID 108840285) is (Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide is CC1CN(/C=C(/C#N)C(=O)NC(c2ccccc2)c2ccccc2)CC(C)O1.
What is the InChIKey of (Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide?
The InChIKey is UXPJHOZFEYJPFD-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-14-26(15-18(2)28-17)16-21(13-24)23(27)25-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,16-18,22H,14-15H2,1-2H3,(H,25,27)/b21-16-.
What are the key properties of (Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide?
(Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide has a molecular weight of 375.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzhydryl-2-cyano-3-(2,6-dimethylmorpholin-4-yl)prop-2-enamide is sourced from PubChem (CID 108840285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).