2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide

C22H21N3O2 — CID 4537555

IUPAC2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
SMILESCc1cccc(NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C22H21N3O2/c1-17-7-5-9-19(13-17)23-16-22(26)25-24-15-18-8-6-12-21(14-18)27-20-10-3-2-4-11-20/h2-15,23H,16H2,1H3,(H,25,26)
InChIKeyKKVRXZVXWOZFBU-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.35
Rot. Bonds7

About 2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide

2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide (PubChem CID 4537555) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
PubChem CID4537555
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
SMILESCc1cccc(NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C22H21N3O2/c1-17-7-5-9-19(13-17)23-16-22(26)25-24-15-18-8-6-12-21(14-18)27-20-10-3-2-4-11-20/h2-15,23H,16H2,1H3,(H,25,26)
InChIKeyKKVRXZVXWOZFBU-UHFFFAOYSA-N
XLogP4.35
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.35
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)-(3,4-dihydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135420053
N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689442
[3-[(E)-[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 46502590
methyl 4-[[[2-(3-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
CID 825894
N-[(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 3765946
N-[(E)-(4-ethylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 25251521
N-[(3-chloro-4-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 758746
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
2-[3-(4-methoxyphenoxy)anilino]-N-(pyridin-4-ylmethylideneamino)acetamide
CID 73226720
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
N-(3-bromophenyl)-N'-[(E)-(3-phenoxyphenyl)methylideneamino]butanediamide
CID 6874211
N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide
CID 6103947

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide (CID 4537555) is 2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide is Cc1cccc(NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide?
The InChIKey is KKVRXZVXWOZFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-17-7-5-9-19(13-17)23-16-22(26)25-24-15-18-8-6-12-21(14-18)27-20-10-3-2-4-11-20/h2-15,23H,16H2,1H3,(H,25,26).
What are the key properties of 2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide?
2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide has a molecular weight of 359.43 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4537555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).