N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide

C21H25N3O3 — CID 171985779

IUPACN-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1CN1CCOCC1
InChIInChI=1S/C21H25N3O3/c1-26-20-8-7-18(13-19(20)16-24-9-11-27-12-10-24)15-22-23-21(25)14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14,16H2,1H3,(H,23,25)/b22-15+
InChIKeyROGXUUKWJQQQDG-PXLXIMEGSA-N
MW367.45 g/mol
LogP2.22
Rot. Bonds7

About N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide

N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide (PubChem CID 171985779) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide
PubChem CID171985779
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide
SMILESCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1CN1CCOCC1
InChIInChI=1S/C21H25N3O3/c1-26-20-8-7-18(13-19(20)16-24-9-11-27-12-10-24)15-22-23-21(25)14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14,16H2,1H3,(H,23,25)/b22-15+
InChIKeyROGXUUKWJQQQDG-PXLXIMEGSA-N
XLogP2.22
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide
CID 6879261
4-chloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide
CID 1222812
2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline
CID 3791654
[2-methoxy-4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] acetate
CID 932190
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide
CID 6873346
2-(4-benzylpiperazin-1-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3846849
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6159492
2-(4-chlorophenyl)-N-[(Z)-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-methoxyphenyl]methylideneamino]acetamide
CID 6140320
2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide
CID 23095152
N-[(E)-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 126379700
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-2-phenylacetamide
CID 6001372

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide (CID 171985779) is N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide is COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1CN1CCOCC1.
What is the InChIKey of N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide?
The InChIKey is ROGXUUKWJQQQDG-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-26-20-8-7-18(13-19(20)16-24-9-11-27-12-10-24)15-22-23-21(25)14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14,16H2,1H3,(H,23,25)/b22-15+.
What are the key properties of N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide?
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide has a molecular weight of 367.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 171985779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).