2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide

C28H28N2O3 — CID 42939468

IUPAC2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C28H28N2O3/c1-2-33-25-14-8-7-13-23(25)28(32)30-17-26(31)29-16-18-15-24-19-9-3-5-11-21(19)27(18)22-12-6-4-10-20(22)24/h3-14,18,24,27H,2,15-17H2,1H3,(H,29,31)(H,30,32)
InChIKeyIQIHYZLBPCWKQQ-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.23
Rot. Bonds7

About 2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide

2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide (PubChem CID 42939468) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide
PubChem CID42939468
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C28H28N2O3/c1-2-33-25-14-8-7-13-23(25)28(32)30-17-26(31)29-16-18-15-24-19-9-3-5-11-21(19)27(18)22-12-6-4-10-20(22)24/h3-14,18,24,27H,2,15-17H2,1H3,(H,29,31)(H,30,32)
InChIKeyIQIHYZLBPCWKQQ-UHFFFAOYSA-N
XLogP4.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide with MolForge

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Related Compounds

2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 43047581
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 134011702
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
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N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
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N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide
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CID 97180721
2-ethoxy-N-[2-[[(1R,2R,3S)-3-ethoxy-2-methoxycyclobutyl]amino]-2-oxoethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide (CID 42939468) is 2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)NCC1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide?
The InChIKey is IQIHYZLBPCWKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-2-33-25-14-8-7-13-23(25)28(32)30-17-26(31)29-16-18-15-24-19-9-3-5-11-21(19)27(18)22-12-6-4-10-20(22)24/h3-14,18,24,27H,2,15-17H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide?
2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide has a molecular weight of 440.54 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide is sourced from PubChem (CID 42939468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).