N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide

C18H20N2O3 — CID 43888206

IUPACN-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)C(C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-12-5-4-6-16(11-12)23-13(2)17(21)20-15-9-7-14(8-10-15)18(22)19-3/h4-11,13H,1-3H3,(H,19,22)(H,20,21)
InChIKeyJPXRLRHQAGUBMX-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.76
Rot. Bonds5

About N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide

N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide (PubChem CID 43888206) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
PubChem CID43888206
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)C(C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-12-5-4-6-16(11-12)23-13(2)17(21)20-15-9-7-14(8-10-15)18(22)19-3/h4-11,13H,1-3H3,(H,19,22)(H,20,21)
InChIKeyJPXRLRHQAGUBMX-UHFFFAOYSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023
N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 26906168
4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17218775
N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 8698425
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 2397766
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide (CID 43888206) is N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide is CNC(=O)c1ccc(NC(=O)C(C)Oc2cccc(C)c2)cc1.
What is the InChIKey of N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide?
The InChIKey is JPXRLRHQAGUBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-5-4-6-16(11-12)23-13(2)17(21)20-15-9-7-14(8-10-15)18(22)19-3/h4-11,13H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide?
N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 43888206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).