4-methoxybutanamide;hydrochloride

C5H12ClNO2 — CID 141117964

IUPAC4-methoxybutanamide;hydrochloride
SMILESCOCCCC(N)=O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-8-4-2-3-5(6)7;/h2-4H2,1H3,(H2,6,7);1H
InChIKeyXTGOVNRGBNVBSM-UHFFFAOYSA-N
MW153.61 g/mol
LogP0.32
Rot. Bonds4

About 4-methoxybutanamide;hydrochloride

4-methoxybutanamide;hydrochloride (PubChem CID 141117964) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is 4-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-methoxybutanamide;hydrochloride
PubChem CID141117964
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name4-methoxybutanamide;hydrochloride
SMILESCOCCCC(N)=O.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-8-4-2-3-5(6)7;/h2-4H2,1H3,(H2,6,7);1H
InChIKeyXTGOVNRGBNVBSM-UHFFFAOYSA-N
XLogP0.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxybutanamide
CID 22414177
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577
5-(3-methoxypropoxy)pentanamide
CID 135179275
1,8-dimethoxyoctane-4,5-dione
CID 139993978
hexanediamide;methoxymethane
CID 87287786
ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide
CID 177319137
N'-(3-methoxypropyl)decanediamide
CID 89083408
methyl 4-methoxybutanoate
CID 542317
(4-amino-4-oxobutyl) methyl hydrogen phosphate
CID 89393269
acetic acid;4-methoxybutanimidamide
CID 162326172
4-silyloxybutanamide
CID 172753753
2-[3-(4-methoxybutoxy)propoxy]acetamide
CID 142367848

Frequently Asked Questions

What is the IUPAC name of 4-methoxybutanamide;hydrochloride?
The IUPAC name of 4-methoxybutanamide;hydrochloride (CID 141117964) is 4-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-methoxybutanamide;hydrochloride is COCCCC(N)=O.Cl.
What is the InChIKey of 4-methoxybutanamide;hydrochloride?
The InChIKey is XTGOVNRGBNVBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-8-4-2-3-5(6)7;/h2-4H2,1H3,(H2,6,7);1H.
What are the key properties of 4-methoxybutanamide;hydrochloride?
4-methoxybutanamide;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutanamide;hydrochloride is sourced from PubChem (CID 141117964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).