N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide

C18H30N2O5 — CID 57164211

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide
SMILESNCCCOCCOCCOCCCN(C=O)OCc1ccccc1
InChIInChI=1S/C18H30N2O5/c19-8-4-10-22-12-14-24-15-13-23-11-5-9-20(17-21)25-16-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-16,19H2
InChIKeyANHLHOHDLPIGFC-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.37
Rot. Bonds17

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

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide (PubChem CID 57164211) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide
PubChem CID57164211
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide
SMILESNCCCOCCOCCOCCCN(C=O)OCc1ccccc1
InChIInChI=1S/C18H30N2O5/c19-8-4-10-22-12-14-24-15-13-23-11-5-9-20(17-21)25-16-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-16,19H2
InChIKeyANHLHOHDLPIGFC-UHFFFAOYSA-N
XLogP1.37
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-N-phenylmethoxyformamide
CID 88956477
N-(4-hydroxybutyl)-N-phenylmethoxyformamide
CID 87139283
N-(8-hydroxyoctyl)-N-phenylmethoxyformamide
CID 57042155
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
4-[formyl(phenylmethoxy)amino]-2-hydroxybutanoic acid
CID 21475226
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
methyl 7-[formyl(phenylmethoxy)amino]-3-oxo-2-phenylheptanoate
CID 57082601
3-(4-phenoxybutoxy)propan-1-amine
CID 82352658
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide (CID 57164211) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide is NCCCOCCOCCOCCCN(C=O)OCc1ccccc1.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide?
The InChIKey is ANHLHOHDLPIGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5/c19-8-4-10-22-12-14-24-15-13-23-11-5-9-20(17-21)25-16-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-16,19H2.
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-phenylmethoxyformamide has a molecular weight of 354.45 g/mol, XLogP of 1.37, 17 rotatable bonds, 1 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]-N-phenylmethoxyformamide is sourced from PubChem (CID 57164211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).