N-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide

C22H26N4O — CID 11682048

IUPACN-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide
SMILES[H]/N=C(/Cc1ccccc1C)N(C#N)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H26N4O/c1-18-7-5-6-10-20(18)15-22(24)26(17-23)21(19-8-3-2-4-9-19)16-25-11-13-27-14-12-25/h2-10,21,24H,11-16H2,1H3/b24-22-
InChIKeyJNYLKZONAJKTQU-GYHWCHFESA-N
MW362.48 g/mol
LogP3.37
Rot. Bonds6

About N-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide

N-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide (PubChem CID 11682048) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide.

Molecular Properties

Compound NameN-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide
PubChem CID11682048
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide
SMILES[H]/N=C(/Cc1ccccc1C)N(C#N)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H26N4O/c1-18-7-5-6-10-20(18)15-22(24)26(17-23)21(19-8-3-2-4-9-19)16-25-11-13-27-14-12-25/h2-10,21,24H,11-16H2,1H3/b24-22-
InChIKeyJNYLKZONAJKTQU-GYHWCHFESA-N
XLogP3.37
TPSA63.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;N-ethyl-N-methyl-2-morpholin-4-yl-1-phenylethanamine
CID 143114202
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid
CID 175111015
N,N-dimethyl-2-(2-methylphenyl)ethanimidamide
CID 63179558
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
4-[(2S)-2-chloro-2-phenylethyl]morpholine
CID 92778596
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
2-(2-methylphenyl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073706
2-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 111753096
N-methyl-2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110753270
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide?
The IUPAC name of N-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide (CID 11682048) is N-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide.
What is the SMILES notation for N-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide?
The canonical SMILES for N-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide is [H]/N=C(/Cc1ccccc1C)N(C#N)C(CN1CCOCC1)c1ccccc1.
What is the InChIKey of N-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide?
The InChIKey is JNYLKZONAJKTQU-GYHWCHFESA-N. The full InChI is InChI=1S/C22H26N4O/c1-18-7-5-6-10-20(18)15-22(24)26(17-23)21(19-8-3-2-4-9-19)16-25-11-13-27-14-12-25/h2-10,21,24H,11-16H2,1H3/b24-22-.
What are the key properties of N-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide?
N-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide has a molecular weight of 362.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-(2-methylphenyl)-N-(2-morpholin-4-yl-1-phenylethyl)ethanimidamide is sourced from PubChem (CID 11682048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).