N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide

C21H27NO4 — CID 17161659

IUPACN-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-4-16(3)26-20-8-6-7-18(15-20)22-21(23)17-9-11-19(12-10-17)25-14-13-24-5-2/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyCSXYHLSSMJESHJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.53
Rot. Bonds10

About N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide

N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide (PubChem CID 17161659) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide
PubChem CID17161659
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide
SMILESCCOCCOc1ccc(C(=O)Nc2cccc(OC(C)CC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-4-16(3)26-20-8-6-7-18(15-20)22-21(23)17-9-11-19(12-10-17)25-14-13-24-5-2/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyCSXYHLSSMJESHJ-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
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-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
CID 19628765
4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
CID 17141359
4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
CID 17141337
methyl 4-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17178329
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
4-butan-2-yloxy-N-(4-propoxyphenyl)benzamide
CID 17141313
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
3-(2-ethoxyethoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17139676
3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17149831
4-ethoxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097294
N-[3-(butanoylamino)phenyl]-4-butan-2-yloxybenzamide
CID 17187670

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide?
The IUPAC name of N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide (CID 17161659) is N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide.
What is the SMILES notation for N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide?
The canonical SMILES for N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide is CCOCCOc1ccc(C(=O)Nc2cccc(OC(C)CC)c2)cc1.
What is the InChIKey of N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide?
The InChIKey is CSXYHLSSMJESHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-16(3)26-20-8-6-7-18(15-20)22-21(23)17-9-11-19(12-10-17)25-14-13-24-5-2/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,22,23).
What are the key properties of N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide?
N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide has a molecular weight of 357.45 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide is sourced from PubChem (CID 17161659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).