N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide

C21H26N2O4 — CID 17196958

IUPACN-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)C(C)Oc2ccc(OC)cc2)c1
InChIInChI=1S/C21H26N2O4/c1-4-5-13-22-21(25)16-7-6-8-17(14-16)23-20(24)15(2)27-19-11-9-18(26-3)10-12-19/h6-12,14-15H,4-5,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRZHFYBMCILAVGT-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.63
Rot. Bonds9

About N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide

N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide (PubChem CID 17196958) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide
PubChem CID17196958
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)C(C)Oc2ccc(OC)cc2)c1
InChIInChI=1S/C21H26N2O4/c1-4-5-13-22-21(25)16-7-6-8-17(14-16)23-20(24)15(2)27-19-11-9-18(26-3)10-12-19/h6-12,14-15H,4-5,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRZHFYBMCILAVGT-UHFFFAOYSA-N
XLogP3.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.63
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-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714
3-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222669
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943
N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide
CID 4531825
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 17218985
N-(2-methylpropyl)-3-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 976970
butyl 3-(2-phenoxypropanoylamino)benzoate
CID 53265691
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
CID 54830364
N-butyl-3-[[2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]benzamide
CID 54845454
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
methyl 3-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267144

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide?
The IUPAC name of N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide (CID 17196958) is N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide is CCCCNC(=O)c1cccc(NC(=O)C(C)Oc2ccc(OC)cc2)c1.
What is the InChIKey of N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide?
The InChIKey is RZHFYBMCILAVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-5-13-22-21(25)16-7-6-8-17(14-16)23-20(24)15(2)27-19-11-9-18(26-3)10-12-19/h6-12,14-15H,4-5,13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide?
N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[2-(4-methoxyphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 17196958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).