(2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide

C24H23N3O2 — CID 126200717

IUPAC(2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide
SMILESCC(C)COc1ccc(/C=N\NC(=O)[C@@H](C#N)c2ccccc2)c2ccccc12
InChIInChI=1S/C24H23N3O2/c1-17(2)16-29-23-13-12-19(20-10-6-7-11-21(20)23)15-26-27-24(28)22(14-25)18-8-4-3-5-9-18/h3-13,15,17,22H,16H2,1-2H3,(H,27,28)/b26-15-/t22-/m0/s1
InChIKeyCILFCGOLFXZDIK-XPUNOZPZSA-N
MW385.47 g/mol
LogP4.63
Rot. Bonds7

About (2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide

(2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide (PubChem CID 126200717) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide
PubChem CID126200717
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide
SMILESCC(C)COc1ccc(/C=N\NC(=O)[C@@H](C#N)c2ccccc2)c2ccccc12
InChIInChI=1S/C24H23N3O2/c1-17(2)16-29-23-13-12-19(20-10-6-7-11-21(20)23)15-26-27-24(28)22(14-25)18-8-4-3-5-9-18/h3-13,15,17,22H,16H2,1-2H3,(H,27,28)/b26-15-/t22-/m0/s1
InChIKeyCILFCGOLFXZDIK-XPUNOZPZSA-N
XLogP4.63
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide
CID 137021976
(2R)-2-cyano-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 137059469
(2S)-2-cyano-N-[(Z)-[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 126212954
(2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126213918
(2R)-2-cyano-N-[(Z)-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126205794
(2S)-N-[(Z)-[4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]methylideneamino]-2-cyano-2-phenylacetamide
CID 126201266
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide
CID 126210762
(2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 126203787
(2S)-2-cyano-N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 126200771
(2S)-2-cyano-N-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-phenylacetamide
CID 126206363
(2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126211490
2-chloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 6044661

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide?
The IUPAC name of (2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide (CID 126200717) is (2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide is CC(C)COc1ccc(/C=N\NC(=O)[C@@H](C#N)c2ccccc2)c2ccccc12.
What is the InChIKey of (2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide?
The InChIKey is CILFCGOLFXZDIK-XPUNOZPZSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17(2)16-29-23-13-12-19(20-10-6-7-11-21(20)23)15-26-27-24(28)22(14-25)18-8-4-3-5-9-18/h3-13,15,17,22H,16H2,1-2H3,(H,27,28)/b26-15-/t22-/m0/s1.
What are the key properties of (2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide?
(2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide has a molecular weight of 385.47 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-[(Z)-[4-(2-methylpropoxy)naphthalen-1-yl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 126200717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).