N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride

C10H23ClN2O3 — CID 119498989

IUPACN-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride
SMILESCOCCOCCC(=O)NCCC(C)N.Cl
InChIInChI=1S/C10H22N2O3.ClH/c1-9(11)3-5-12-10(13)4-6-15-8-7-14-2;/h9H,3-8,11H2,1-2H3,(H,12,13);1H
InChIKeyLBOWTLCIABUUIV-UHFFFAOYSA-N
MW254.76 g/mol
LogP0.31
Rot. Bonds9

About N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride

N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride (PubChem CID 119498989) has the molecular formula C10H23ClN2O3 and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride
PubChem CID119498989
Molecular FormulaC10H23ClN2O3
Molecular Weight254.76 g/mol
Exact Mass254.14
IUPAC NameN-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride
SMILESCOCCOCCC(=O)NCCC(C)N.Cl
InChIInChI=1S/C10H22N2O3.ClH/c1-9(11)3-5-12-10(13)4-6-15-8-7-14-2;/h9H,3-8,11H2,1-2H3,(H,12,13);1H
InChIKeyLBOWTLCIABUUIV-UHFFFAOYSA-N
XLogP0.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 50.31
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-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
N-(3-amino-4-methoxybutyl)-3-ethoxypropanamide
CID 106243005
N-[(5S)-5-aminohexyl]-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 172551422
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-(2-methoxyethoxy)propanamide
CID 59805161
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159557
2-[2-[3-[[(3S)-3-amino-5-methyl-4-oxohexyl]amino]-3-oxopropoxy]ethoxy]ethyl-trimethylazanium
CID 168911379
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
CID 101361634
N-(3-methylbutyl)-3-[2-[3-[2-(sulfanylamino)ethoxy]propanoylamino]ethoxy]propanamide
CID 170123968
4-amino-N-(3-ethoxypropyl)pentanamide;hydrochloride
CID 120558779
5-hydroxy-4-(hydroxymethyl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 58205613

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride (CID 119498989) is N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride is COCCOCCC(=O)NCCC(C)N.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride?
The InChIKey is LBOWTLCIABUUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3.ClH/c1-9(11)3-5-12-10(13)4-6-15-8-7-14-2;/h9H,3-8,11H2,1-2H3,(H,12,13);1H.
What are the key properties of N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride?
N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 0.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride is sourced from PubChem (CID 119498989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).