N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide

C24H24N2O3 — CID 17320785

IUPACN-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-17-12-14-19(15-13-17)16-25-24(28)21-10-6-7-11-22(21)26-23(27)18(2)29-20-8-4-3-5-9-20/h3-15,18H,16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyBRKPRQMELRETAF-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.33
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide

N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide (PubChem CID 17320785) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide
PubChem CID17320785
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C24H24N2O3/c1-17-12-14-19(15-13-17)16-25-24(28)21-10-6-7-11-22(21)26-23(27)18(2)29-20-8-4-3-5-9-20/h3-15,18H,16H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyBRKPRQMELRETAF-UHFFFAOYSA-N
XLogP4.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
N-(2-methoxyethyl)-2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 9173265
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 17319950
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 42426832
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4953369
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 40696532
N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 60653440
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide (CID 17320785) is N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(C)Oc2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide?
The InChIKey is BRKPRQMELRETAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17-12-14-19(15-13-17)16-25-24(28)21-10-6-7-11-22(21)26-23(27)18(2)29-20-8-4-3-5-9-20/h3-15,18H,16H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide?
N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide is sourced from PubChem (CID 17320785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).