4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

C18H28N2O4 — CID 46655429

IUPAC4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCCOc1ccc(C(=O)NC(C)C(=O)NCCC)cc1OC
InChIInChI=1S/C18H28N2O4/c1-5-7-11-24-15-9-8-14(12-16(15)23-4)18(22)20-13(3)17(21)19-10-6-2/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyMNEDJPYJSHOLMG-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.52
Rot. Bonds10

About 4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 46655429) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID46655429
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCCOc1ccc(C(=O)NC(C)C(=O)NCCC)cc1OC
InChIInChI=1S/C18H28N2O4/c1-5-7-11-24-15-9-8-14(12-16(15)23-4)18(22)20-13(3)17(21)19-10-6-2/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyMNEDJPYJSHOLMG-UHFFFAOYSA-N
XLogP2.52
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.52
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

3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide
CID 27861011
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
4-bromo-3,5-dimethoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 17412288
N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119587214
N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
CID 4880220
N-[(2S)-1-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24553444
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 8750850
2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733093
3,4-dipentoxy-N-propan-2-ylbenzamide
CID 3575779

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 46655429) is 4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCCOc1ccc(C(=O)NC(C)C(=O)NCCC)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is MNEDJPYJSHOLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-7-11-24-15-9-8-14(12-16(15)23-4)18(22)20-13(3)17(21)19-10-6-2/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 336.43 g/mol, XLogP of 2.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 46655429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).