N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide

C10H22N2O3 — CID 106243005

IUPACN-(3-amino-4-methoxybutyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NCCC(N)COC
InChIInChI=1S/C10H22N2O3/c1-3-15-7-5-10(13)12-6-4-9(11)8-14-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyDBXAAEKIQUOLHI-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.11
Rot. Bonds9

About N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide

N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide (PubChem CID 106243005) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-3-ethoxypropanamide
PubChem CID106243005
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC NameN-(3-amino-4-methoxybutyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NCCC(N)COC
InChIInChI=1S/C10H22N2O3/c1-3-15-7-5-10(13)12-6-4-9(11)8-14-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyDBXAAEKIQUOLHI-UHFFFAOYSA-N
XLogP-0.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119498989
4-ethoxy-1-methoxybutan-2-amine
CID 115601761
4-amino-N-(3-ethoxypropyl)pentanamide;hydrochloride
CID 120558779
3-ethoxy-N-ethylpropanamide
CID 58030283
N-(2,2-dimethoxyethyl)-3-ethoxypropanamide
CID 62966631
N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide
CID 106243082
N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide
CID 106242904
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568
3-ethoxy-N-(2-hydroxypropyl)propanamide
CID 62589549
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
2-(3-ethoxypropanoylamino)-3-methoxypropanoic acid
CID 81076376
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide (CID 106243005) is N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide is CCOCCC(=O)NCCC(N)COC.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide?
The InChIKey is DBXAAEKIQUOLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-3-15-7-5-10(13)12-6-4-9(11)8-14-2/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide?
N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide has a molecular weight of 218.30 g/mol, XLogP of -0.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide is sourced from PubChem (CID 106243005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).