4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide

C24H25NO3 — CID 17131440

IUPAC4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C24H25NO3/c1-2-27-21-16-14-20(15-17-21)24(26)25-22-12-6-7-13-23(22)28-18-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-17H,2,8,11,18H2,1H3,(H,25,26)
InChIKeyORBSOBKVHYDQBN-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.35
Rot. Bonds9

About 4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide

4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide (PubChem CID 17131440) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
PubChem CID17131440
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C24H25NO3/c1-2-27-21-16-14-20(15-17-21)24(26)25-22-12-6-7-13-23(22)28-18-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-17H,2,8,11,18H2,1H3,(H,25,26)
InChIKeyORBSOBKVHYDQBN-UHFFFAOYSA-N
XLogP5.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17131462
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
4-(2-methoxyethoxy)-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17131623
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278
3-bromo-N-[2-(3-phenylpropoxy)phenyl]-4-propoxybenzamide
CID 17131493
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
CID 4957348
N-(2-ethoxyphenyl)-4-(3-phenylpropanoylamino)benzamide
CID 1237348
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131458

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide (CID 17131440) is 4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccccc2OCCCc2ccccc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide?
The InChIKey is ORBSOBKVHYDQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-2-27-21-16-14-20(15-17-21)24(26)25-22-12-6-7-13-23(22)28-18-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-17H,2,8,11,18H2,1H3,(H,25,26).
What are the key properties of 4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide?
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide has a molecular weight of 375.47 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17131440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).