2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide

C23H31N3O2 — CID 71950785

IUPAC2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide
SMILESCCCN(CCC)c1ccc(C=NNC(=O)COc2c(C)cccc2C)cc1
InChIInChI=1S/C23H31N3O2/c1-5-14-26(15-6-2)21-12-10-20(11-13-21)16-24-25-22(27)17-28-23-18(3)8-7-9-19(23)4/h7-13,16H,5-6,14-15,17H2,1-4H3,(H,25,27)
InChIKeyKKARAMHALQHMGP-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.46
Rot. Bonds10

About 2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide

2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide (PubChem CID 71950785) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide
PubChem CID71950785
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide
SMILESCCCN(CCC)c1ccc(C=NNC(=O)COc2c(C)cccc2C)cc1
InChIInChI=1S/C23H31N3O2/c1-5-14-26(15-6-2)21-12-10-20(11-13-21)16-24-25-22(27)17-28-23-18(3)8-7-9-19(23)4/h7-13,16H,5-6,14-15,17H2,1-4H3,(H,25,27)
InChIKeyKKARAMHALQHMGP-UHFFFAOYSA-N
XLogP4.46
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.46
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

2-(2,6-dimethylphenoxy)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 5403335
2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3296653
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 135615101
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6066854
2-(2,6-dimethylphenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135419496
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136748198
[4-[[[2-(2,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 3985980
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 773201
2-(2,6-dimethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924390
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-(2,6-dimethylphenoxy)acetamide
CID 137166773
2-(2,6-dimethylphenoxy)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 136661504
2-(2,6-dimethylphenoxy)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 909241

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide (CID 71950785) is 2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide is CCCN(CCC)c1ccc(C=NNC(=O)COc2c(C)cccc2C)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide?
The InChIKey is KKARAMHALQHMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-5-14-26(15-6-2)21-12-10-20(11-13-21)16-24-25-22(27)17-28-23-18(3)8-7-9-19(23)4/h7-13,16H,5-6,14-15,17H2,1-4H3,(H,25,27).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide?
2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide has a molecular weight of 381.52 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[[4-(dipropylamino)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 71950785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).