4-methoxybutanamide

C5H11NO2 — CID 22414177

IUPAC4-methoxybutanamide
SMILESCOCCCC(N)=O
InChIInChI=1S/C5H11NO2/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H2,6,7)
InChIKeyXJXBWJFUCWOLSY-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.10
Rot. Bonds4

About 4-methoxybutanamide

4-methoxybutanamide (PubChem CID 22414177) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 4-methoxybutanamide.

Molecular Properties

Compound Name4-methoxybutanamide
PubChem CID22414177
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name4-methoxybutanamide
SMILESCOCCCC(N)=O
InChIInChI=1S/C5H11NO2/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H2,6,7)
InChIKeyXJXBWJFUCWOLSY-UHFFFAOYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.10
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;hydrochloride
CID 141117964
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?
The IUPAC name of 4-methoxybutanamide (CID 22414177) is 4-methoxybutanamide.
What is the SMILES notation for 4-methoxybutanamide?
The canonical SMILES for 4-methoxybutanamide is COCCCC(N)=O.
What is the InChIKey of 4-methoxybutanamide?
The InChIKey is XJXBWJFUCWOLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H2,6,7).
What are the key properties of 4-methoxybutanamide?
4-methoxybutanamide has a molecular weight of 117.15 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutanamide is sourced from PubChem (CID 22414177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).