N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide

C18H28N2O5 — CID 89427030

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide
SMILESNCCCOCCOCCOCCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C18H28N2O5/c19-7-1-9-23-11-13-25-14-12-24-10-2-8-20-18(22)17-5-3-16(15-21)4-6-17/h3-6,15H,1-2,7-14,19H2,(H,20,22)
InChIKeyLSJQRUDFWJULTC-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.02
Rot. Bonds15

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide (PubChem CID 89427030) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide
PubChem CID89427030
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide
SMILESNCCCOCCOCCOCCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C18H28N2O5/c19-7-1-9-23-11-13-25-14-12-24-10-2-8-20-18(22)17-5-3-16(15-21)4-6-17/h3-6,15H,1-2,7-14,19H2,(H,20,22)
InChIKeyLSJQRUDFWJULTC-UHFFFAOYSA-N
XLogP1.02
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-formylbenzamide
CID 118474745
4-formyl-N-[2-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 175868079
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
4-formyl-N-octylbenzamide
CID 59691779
4-formyl-N-tricosylbenzamide
CID 166066746
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide
CID 106307307
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
CID 88940421
3,6-diamino-2-N,5-N-bis[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]pyrazine-2,5-dicarboxamide;dihydrochloride
CID 67478725
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-formylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-formylbenzoate
CID 57408109
4-N-(3-aminopropyl)benzene-1,4-dicarboxamide
CID 11053215
2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate
CID 130308397

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide (CID 89427030) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide is NCCCOCCOCCOCCCNC(=O)c1ccc(C=O)cc1.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide?
The InChIKey is LSJQRUDFWJULTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c19-7-1-9-23-11-13-25-14-12-24-10-2-8-20-18(22)17-5-3-16(15-21)4-6-17/h3-6,15H,1-2,7-14,19H2,(H,20,22).
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide has a molecular weight of 352.43 g/mol, XLogP of 1.02, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide is sourced from PubChem (CID 89427030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).