N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride

C11H23ClN2O2 — CID 119583219

IUPACN-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride
SMILESC=CCOCCCC(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-4-7-15-8-5-6-11(14)13(3)10(2)9-12;/h4,10H,1,5-9,12H2,2-3H3;1H
InChIKeyNIQXULOIJZXVKK-UHFFFAOYSA-N
MW250.77 g/mol
LogP1.20
Rot. Bonds8

About N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride (PubChem CID 119583219) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride
PubChem CID119583219
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride
SMILESC=CCOCCCC(=O)N(C)C(C)CN.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-4-7-15-8-5-6-11(14)13(3)10(2)9-12;/h4,10H,1,5-9,12H2,2-3H3;1H
InChIKeyNIQXULOIJZXVKK-UHFFFAOYSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride (CID 119583219) is N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride is C=CCOCCCC(=O)N(C)C(C)CN.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride?
The InChIKey is NIQXULOIJZXVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-4-7-15-8-5-6-11(14)13(3)10(2)9-12;/h4,10H,1,5-9,12H2,2-3H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-4-prop-2-enoxybutanamide;hydrochloride is sourced from PubChem (CID 119583219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).