3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C21H27NO4 — CID 43911154

IUPAC3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCCOCCOc1cccc(C(=O)NCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C21H27NO4/c1-4-24-12-13-25-20-7-5-6-18(14-20)21(23)22-15-17-8-10-19(11-9-17)26-16(2)3/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,22,23)
InChIKeyBFVOABCMUGRTBH-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.82
Rot. Bonds10

About 3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 43911154) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID43911154
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCCOCCOc1cccc(C(=O)NCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C21H27NO4/c1-4-24-12-13-25-20-7-5-6-18(14-20)21(23)22-15-17-8-10-19(11-9-17)26-16(2)3/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,22,23)
InChIKeyBFVOABCMUGRTBH-UHFFFAOYSA-N
XLogP3.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
3-(2-ethoxyethoxy)-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide
CID 17230594
3-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911263
N-benzyl-3-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
CID 28638954
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
N-[3-(2-ethoxyethoxy)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845108
N-[[3-(2-ethoxyethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142797
3-(2-ethoxyethoxy)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154941
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
3-(2-ethoxyethoxy)-N-[4-(ethylcarbamoyl)phenyl]benzamide
CID 17234430
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197543
3-(2-ethoxyethoxy)-N-hexadecylbenzamide
CID 17139521

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 43911154) is 3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is CCOCCOc1cccc(C(=O)NCc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is BFVOABCMUGRTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-24-12-13-25-20-7-5-6-18(14-20)21(23)22-15-17-8-10-19(11-9-17)26-16(2)3/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,22,23).
What are the key properties of 3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 357.45 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 43911154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).