3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide

C29H52N2O4 — CID 155048781

IUPAC3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide
SMILESCCCCCCC(CCCCCC)COc1cccc(NC(=O)CCOCCOCCNCC)c1
InChIInChI=1S/C29H52N2O4/c1-4-7-9-11-14-26(15-12-10-8-5-2)25-35-28-17-13-16-27(24-28)31-29(32)18-20-33-22-23-34-21-19-30-6-3/h13,16-17,24,26,30H,4-12,14-15,18-23,25H2,1-3H3,(H,31,32)
InChIKeyMJJHDHDDPIGDJT-UHFFFAOYSA-N
MW492.75 g/mol
LogP6.59
Rot. Bonds24

About 3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide

3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide (PubChem CID 155048781) has the molecular formula C29H52N2O4 and a molecular weight of 492.75 g/mol. Its IUPAC name is 3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide
PubChem CID155048781
Molecular FormulaC29H52N2O4
Molecular Weight492.75 g/mol
Exact Mass492.39
IUPAC Name3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide
SMILESCCCCCCC(CCCCCC)COc1cccc(NC(=O)CCOCCOCCNCC)c1
InChIInChI=1S/C29H52N2O4/c1-4-7-9-11-14-26(15-12-10-8-5-2)25-35-28-17-13-16-27(24-28)31-29(32)18-20-33-22-23-34-21-19-30-6-3/h13,16-17,24,26,30H,4-12,14-15,18-23,25H2,1-3H3,(H,31,32)
InChIKeyMJJHDHDDPIGDJT-UHFFFAOYSA-N
XLogP6.59
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.75
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-[3-(2-ethoxyethoxy)phenyl]tetradecanamide
CID 54789458
2-(ethylamino)-N-(3-hexoxyphenyl)acetamide
CID 54820702
N-[3-[2-azido-2-[2-[2-[[(E)-4-methylpent-2-enyl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]-3-[2-[2-(ethylamino)ethoxy]ethoxy]propanamide
CID 155048765
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
N-(3-hexoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817631
2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
CID 54813824
2-(tert-butylamino)-N-(3-heptoxyphenyl)acetamide
CID 54813608
2-(ethylamino)-N-(3-propoxyphenyl)acetamide
CID 54820704
N-(3-heptoxyphenyl)-2-(2-methylphenyl)acetamide
CID 43877403
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]octanamide
CID 43369412
3-(tert-butylamino)-N-(3-propoxyphenyl)propanamide
CID 60849225

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide?
The IUPAC name of 3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide (CID 155048781) is 3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide.
What is the SMILES notation for 3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide?
The canonical SMILES for 3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide is CCCCCCC(CCCCCC)COc1cccc(NC(=O)CCOCCOCCNCC)c1.
What is the InChIKey of 3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide?
The InChIKey is MJJHDHDDPIGDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52N2O4/c1-4-7-9-11-14-26(15-12-10-8-5-2)25-35-28-17-13-16-27(24-28)31-29(32)18-20-33-22-23-34-21-19-30-6-3/h13,16-17,24,26,30H,4-12,14-15,18-23,25H2,1-3H3,(H,31,32).
What are the key properties of 3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide?
3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide has a molecular weight of 492.75 g/mol, XLogP of 6.59, 24 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(ethylamino)ethoxy]ethoxy]-N-[3-(2-hexyloctoxy)phenyl]propanamide is sourced from PubChem (CID 155048781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).