N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide

C20H24N2O3 — CID 46487585

IUPACN-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
SMILESCOCc1cccc(CNC(=O)CCCNC(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-25-15-17-8-5-7-16(13-17)14-22-19(23)11-6-12-21-20(24)18-9-3-2-4-10-18/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,21,24)(H,22,23)
InChIKeyZHYXJWMAFGVDMF-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.66
Rot. Bonds9

About N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide

N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide (PubChem CID 46487585) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
PubChem CID46487585
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
SMILESCOCc1cccc(CNC(=O)CCCNC(=O)c2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-25-15-17-8-5-7-16(13-17)14-22-19(23)11-6-12-21-20(24)18-9-3-2-4-10-18/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,21,24)(H,22,23)
InChIKeyZHYXJWMAFGVDMF-UHFFFAOYSA-N
XLogP2.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[3-(methoxymethyl)phenyl]methylamino]-5-oxopentanoic acid
CID 54896405
N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide
CID 46465050
N-[3-(benzylamino)-3-oxopropyl]-4-(methoxymethyl)benzamide
CID 60608621
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 46479161
N-[3-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46470414
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
N-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]benzamide
CID 39753224
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide (CID 46487585) is N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide is COCc1cccc(CNC(=O)CCCNC(=O)c2ccccc2)c1.
What is the InChIKey of N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide?
The InChIKey is ZHYXJWMAFGVDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-25-15-17-8-5-7-16(13-17)14-22-19(23)11-6-12-21-20(24)18-9-3-2-4-10-18/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide?
N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 46487585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).