N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide

C39H56N2O13 — CID 86628961

IUPACN-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide
SMILESC#CCOc1cccc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C39H56N2O13/c1-3-13-54-37-6-4-5-36(32-37)39(44)41-12-15-46-17-19-48-21-23-50-25-27-52-29-31-53-30-28-51-26-24-49-22-20-47-18-16-45-14-11-40-38(43)35-9-7-34(8-10-35)33(2)42/h1,4-10,32H,11-31H2,2H3,(H,40,43)(H,41,44)
InChIKeyXHZIAVUFSFDBQB-UHFFFAOYSA-N
MW760.88 g/mol
LogP2.21
Rot. Bonds35

About N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide

N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide (PubChem CID 86628961) has the molecular formula C39H56N2O13 and a molecular weight of 760.88 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide
PubChem CID86628961
Molecular FormulaC39H56N2O13
Molecular Weight760.88 g/mol
Exact Mass760.38
IUPAC NameN-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide
SMILESC#CCOc1cccc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C39H56N2O13/c1-3-13-54-37-6-4-5-36(32-37)39(44)41-12-15-46-17-19-48-21-23-50-25-27-52-29-31-53-30-28-51-26-24-49-22-20-47-18-16-45-14-11-40-38(43)35-9-7-34(8-10-35)33(2)42/h1,4-10,32H,11-31H2,2H3,(H,40,43)(H,41,44)
InChIKeyXHZIAVUFSFDBQB-UHFFFAOYSA-N
XLogP2.21
TPSA167.57 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds35
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.88
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-3-prop-2-ynoxybenzamide
CID 154752881
4-acetyl-N-ethylbenzamide;N-(2-methyl-4-propan-2-yloxybutan-2-yl)-3-prop-2-ynoxybenzamide
CID 143526080
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
3-[2-amino-2-[2-(3-prop-2-ynoxypropoxy)ethoxy]ethoxy]-N-[2-(methylamino)ethyl]benzamide
CID 146499242
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid
CID 112739190
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
N-(4-acetylphenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139535
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
3-[2-(disulfanyl)-2-[2-[2-[4-oxo-4-(2-prop-2-ynoxyethylamino)butoxy]ethoxy]ethoxy]ethoxy]-N-[2-(ethylamino)ethyl]benzamide
CID 167473694
N-[2-[4-(3-acetylphenoxy)butanoylamino]ethyl]-3-bromobenzamide
CID 60615622

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide?
The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide (CID 86628961) is N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide is C#CCOc1cccc(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2ccc(C(C)=O)cc2)c1.
What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide?
The InChIKey is XHZIAVUFSFDBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H56N2O13/c1-3-13-54-37-6-4-5-36(32-37)39(44)41-12-15-46-17-19-48-21-23-50-25-27-52-29-31-53-30-28-51-26-24-49-22-20-47-18-16-45-14-11-40-38(43)35-9-7-34(8-10-35)33(2)42/h1,4-10,32H,11-31H2,2H3,(H,40,43)(H,41,44).
What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide?
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide has a molecular weight of 760.88 g/mol, XLogP of 2.21, 35 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-acetylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide is sourced from PubChem (CID 86628961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).