N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide

C24H25NO4 — CID 17123567

IUPACN-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C24H25NO4/c1-2-15-27-22-13-11-19(12-14-22)24(26)25-20-7-6-10-23(18-20)29-17-16-28-21-8-4-3-5-9-21/h3-14,18H,2,15-17H2,1H3,(H,25,26)
InChIKeyQIADIYZPYZGYEQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.19
Rot. Bonds10

About N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide

N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide (PubChem CID 17123567) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
PubChem CID17123567
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC NameN-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C24H25NO4/c1-2-15-27-22-13-11-19(12-14-22)24(26)25-20-7-6-10-23(18-20)29-17-16-28-21-8-4-3-5-9-21/h3-14,18H,2,15-17H2,1H3,(H,25,26)
InChIKeyQIADIYZPYZGYEQ-UHFFFAOYSA-N
XLogP5.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.19
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-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
CID 19628765
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide
CID 38825151
4-(2-phenoxyethoxy)-N-[(3-propoxyphenyl)carbamothioyl]benzamide
CID 17097060
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
4-[4-[(3-propoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545720
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188307

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide?
The IUPAC name of N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide (CID 17123567) is N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide?
The canonical SMILES for N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(OCCOc3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide?
The InChIKey is QIADIYZPYZGYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-2-15-27-22-13-11-19(12-14-22)24(26)25-20-7-6-10-23(18-20)29-17-16-28-21-8-4-3-5-9-21/h3-14,18H,2,15-17H2,1H3,(H,25,26).
What are the key properties of N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide?
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide has a molecular weight of 391.47 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 17123567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).