N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide

C18H20N2O3 — CID 26906168

IUPACN-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-12-4-10-16(11-5-12)23-13(2)17(21)20-15-8-6-14(7-9-15)18(22)19-3/h4-11,13H,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyNBTOXAMONHJMEJ-ZDUSSCGKSA-N
MW312.37 g/mol
LogP2.76
Rot. Bonds5

About N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide

N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide (PubChem CID 26906168) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
PubChem CID26906168
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-12-4-10-16(11-5-12)23-13(2)17(21)20-15-8-6-14(7-9-15)18(22)19-3/h4-11,13H,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyNBTOXAMONHJMEJ-ZDUSSCGKSA-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-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226
4-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-(4-methylphenyl)benzamide
CID 7709738
N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17199498
N-(2-methoxyethyl)-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17218246
(2R)-N-(4-benzoylphenyl)-2-(4-methylphenoxy)propanamide
CID 1019881
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
ethyl 4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzoate
CID 837427
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
4-[2-(4-methoxyphenoxy)propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 55504736
4-chloro-N-methyl-3-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 87004483
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17252287

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide (CID 26906168) is N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide?
The InChIKey is NBTOXAMONHJMEJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-4-10-16(11-5-12)23-13(2)17(21)20-15-8-6-14(7-9-15)18(22)19-3/h4-11,13H,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1.
What are the key properties of N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide?
N-methyl-4-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]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-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 26906168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).