N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide

C22H19N3O3 — CID 24819612

IUPACN-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide
SMILESNC(=O)COc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O3/c23-21(26)15-28-20-12-6-16(7-13-20)14-24-25-22(27)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-14H,15H2,(H2,23,26)(H,25,27)
InChIKeyREMBLIRVWWMSOX-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.98
Rot. Bonds7

About N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide

N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide (PubChem CID 24819612) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide
PubChem CID24819612
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide
SMILESNC(=O)COc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H19N3O3/c23-21(26)15-28-20-12-6-16(7-13-20)14-24-25-22(27)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-14H,15H2,(H2,23,26)(H,25,27)
InChIKeyREMBLIRVWWMSOX-UHFFFAOYSA-N
XLogP2.98
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
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

N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
CID 96885337
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
CID 6874443
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 5412030
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 3265840
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide (CID 24819612) is N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide is NC(=O)COc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide?
The InChIKey is REMBLIRVWWMSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c23-21(26)15-28-20-12-6-16(7-13-20)14-24-25-22(27)19-10-8-18(9-11-19)17-4-2-1-3-5-17/h1-14H,15H2,(H2,23,26)(H,25,27).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide?
N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide has a molecular weight of 373.41 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 24819612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).