2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide

C22H28N2O3 — CID 4149851

IUPAC2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccccc1C=NNC(=O)COc1cc(C(C)C)ccc1C
InChIInChI=1S/C22H28N2O3/c1-5-12-26-20-9-7-6-8-19(20)14-23-24-22(25)15-27-21-13-18(16(2)3)11-10-17(21)4/h6-11,13-14,16H,5,12,15H2,1-4H3,(H,24,25)
InChIKeySRFJNAZNGHDMTQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.44
Rot. Bonds9

About 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide

2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide (PubChem CID 4149851) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide
PubChem CID4149851
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccccc1C=NNC(=O)COc1cc(C(C)C)ccc1C
InChIInChI=1S/C22H28N2O3/c1-5-12-26-20-9-7-6-8-19(20)14-23-24-22(25)15-27-21-13-18(16(2)3)11-10-17(21)4/h6-11,13-14,16H,5,12,15H2,1-4H3,(H,24,25)
InChIKeySRFJNAZNGHDMTQ-UHFFFAOYSA-N
XLogP4.44
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.44
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

N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 51061337
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4076296
N-[(4-butoxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 4180161
[4-[(Z)-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6030040
2-(2-methoxyphenoxy)-N-[(E)-(2-propoxyphenyl)methylideneamino]acetamide
CID 6872121
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 135607666
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 136794200
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 6871426
N-(2,5-dimethylphenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
CID 5197278
2-(2-methylphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 2251128
2-(2,5-dimethylphenoxy)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135560510
[2-methoxy-4-[(Z)-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 6081648

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide (CID 4149851) is 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide is CCCOc1ccccc1C=NNC(=O)COc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide?
The InChIKey is SRFJNAZNGHDMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-12-26-20-9-7-6-8-19(20)14-23-24-22(25)15-27-21-13-18(16(2)3)11-10-17(21)4/h6-11,13-14,16H,5,12,15H2,1-4H3,(H,24,25).
What are the key properties of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide?
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide has a molecular weight of 368.48 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4149851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).