3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide

C38H44N2O4 — CID 17233441

IUPAC3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
SMILESO=C(NCCCCCCCCNC(=O)c1cccc(OCCc2ccccc2)c1)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C38H44N2O4/c41-37(33-19-13-21-35(29-33)43-27-23-31-15-7-5-8-16-31)39-25-11-3-1-2-4-12-26-40-38(42)34-20-14-22-36(30-34)44-28-24-32-17-9-6-10-18-32/h5-10,13-22,29-30H,1-4,11-12,23-28H2,(H,39,41)(H,40,42)
InChIKeyARHOTCXSBQXVCE-UHFFFAOYSA-N
MW592.78 g/mol
LogP7.43
Rot. Bonds19

About 3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide

3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide (PubChem CID 17233441) has the molecular formula C38H44N2O4 and a molecular weight of 592.78 g/mol. Its IUPAC name is 3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide.

Molecular Properties

Compound Name3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
PubChem CID17233441
Molecular FormulaC38H44N2O4
Molecular Weight592.78 g/mol
Exact Mass592.33
IUPAC Name3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide
SMILESO=C(NCCCCCCCCNC(=O)c1cccc(OCCc2ccccc2)c1)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C38H44N2O4/c41-37(33-19-13-21-35(29-33)43-27-23-31-15-7-5-8-16-31)39-25-11-3-1-2-4-12-26-40-38(42)34-20-14-22-36(30-34)44-28-24-32-17-9-6-10-18-32/h5-10,13-22,29-30H,1-4,11-12,23-28H2,(H,39,41)(H,40,42)
InChIKeyARHOTCXSBQXVCE-UHFFFAOYSA-N
XLogP7.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.78
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-3-phenylmethoxybenzamide
CID 112759707
3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide
CID 17073272
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-(2-phenylethoxy)benzamide
CID 17135006
N-(2-methoxyethyl)-3-[[3-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 17219345
N-[[4-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17218517
N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
3-(2-ethoxyethoxy)-N-hexadecylbenzamide
CID 17139521
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide?
The IUPAC name of 3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide (CID 17233441) is 3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide.
What is the SMILES notation for 3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide?
The canonical SMILES for 3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide is O=C(NCCCCCCCCNC(=O)c1cccc(OCCc2ccccc2)c1)c1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide?
The InChIKey is ARHOTCXSBQXVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44N2O4/c41-37(33-19-13-21-35(29-33)43-27-23-31-15-7-5-8-16-31)39-25-11-3-1-2-4-12-26-40-38(42)34-20-14-22-36(30-34)44-28-24-32-17-9-6-10-18-32/h5-10,13-22,29-30H,1-4,11-12,23-28H2,(H,39,41)(H,40,42).
What are the key properties of 3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide?
3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide has a molecular weight of 592.78 g/mol, XLogP of 7.43, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethoxy)-N-[8-[[3-(2-phenylethoxy)benzoyl]amino]octyl]benzamide is sourced from PubChem (CID 17233441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).