4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide

C24H32N2O5 — CID 29218680

IUPAC4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide
SMILESCCCCOc1ccc(C(=O)NOCC(=O)Nc2c(C)cccc2C(C)C)cc1OC
InChIInChI=1S/C24H32N2O5/c1-6-7-13-30-20-12-11-18(14-21(20)29-5)24(28)26-31-15-22(27)25-23-17(4)9-8-10-19(23)16(2)3/h8-12,14,16H,6-7,13,15H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyTUIVQTAZXOOSSM-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.61
Rot. Bonds11

About 4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide

4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide (PubChem CID 29218680) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide
PubChem CID29218680
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide
SMILESCCCCOc1ccc(C(=O)NOCC(=O)Nc2c(C)cccc2C(C)C)cc1OC
InChIInChI=1S/C24H32N2O5/c1-6-7-13-30-20-12-11-18(14-21(20)29-5)24(28)26-31-15-22(27)25-23-17(4)9-8-10-19(23)16(2)3/h8-12,14,16H,6-7,13,15H2,1-5H3,(H,25,27)(H,26,28)
InChIKeyTUIVQTAZXOOSSM-UHFFFAOYSA-N
XLogP4.61
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide
CID 26218687
4-(difluoromethoxy)-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 7919835
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854161
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 7753574
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-butoxy-3-methoxybenzoate
CID 55419385
2-(4-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7688543
methyl 4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzoate
CID 7667630
methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55771702
1-O-methyl 4-O-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 9112146
2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide
CID 112997410
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501137
2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 19203579

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide (CID 29218680) is 4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide is CCCCOc1ccc(C(=O)NOCC(=O)Nc2c(C)cccc2C(C)C)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide?
The InChIKey is TUIVQTAZXOOSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-6-7-13-30-20-12-11-18(14-21(20)29-5)24(28)26-31-15-22(27)25-23-17(4)9-8-10-19(23)16(2)3/h8-12,14,16H,6-7,13,15H2,1-5H3,(H,25,27)(H,26,28).
What are the key properties of 4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide?
4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide has a molecular weight of 428.53 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 29218680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).