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

C20H25NO4 — CID 19628765

IUPACN-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(OCCOCC)c2)cc1
InChIInChI=1S/C20H25NO4/c1-3-12-24-18-10-8-16(9-11-18)20(22)21-17-6-5-7-19(15-17)25-14-13-23-4-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,21,22)
InChIKeyUHAAOHNBPHNSPM-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.14
Rot. Bonds10

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

N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide (PubChem CID 19628765) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
PubChem CID19628765
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(OCCOCC)c2)cc1
InChIInChI=1S/C20H25NO4/c1-3-12-24-18-10-8-16(9-11-18)20(22)21-17-6-5-7-19(15-17)25-14-13-23-4-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,21,22)
InChIKeyUHAAOHNBPHNSPM-UHFFFAOYSA-N
XLogP4.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.14
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-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
N-(3-butan-2-yloxyphenyl)-4-(2-ethoxyethoxy)benzamide
CID 17161659
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(3-phenylmethoxyphenyl)-4-propoxybenzamide
CID 17086082
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
4-[4-[(3-propoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545720
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide
CID 38825151
N-(3-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 2238701
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide?
The IUPAC name of N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide (CID 19628765) is N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide?
The canonical SMILES for N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(OCCOCC)c2)cc1.
What is the InChIKey of N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide?
The InChIKey is UHAAOHNBPHNSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-12-24-18-10-8-16(9-11-18)20(22)21-17-6-5-7-19(15-17)25-14-13-23-4-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide?
N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide has a molecular weight of 343.42 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxy)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 19628765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).