2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide

C23H22N2O3 — CID 7980902

IUPAC2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
SMILESCc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-16-9-8-12-19(15-16)25-22(26)17(2)28-21-14-7-6-13-20(21)23(27)24-18-10-4-3-5-11-18/h3-15,17H,1-2H3,(H,24,27)(H,25,26)/t17-/m1/s1
InChIKeyAEYPXMFAJWLALQ-QGZVFWFLSA-N
MW374.44 g/mol
LogP4.65
Rot. Bonds6

About 2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide

2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide (PubChem CID 7980902) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
PubChem CID7980902
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
SMILESCc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-16-9-8-12-19(15-16)25-22(26)17(2)28-21-14-7-6-13-20(21)23(27)24-18-10-4-3-5-11-18/h3-15,17H,1-2H3,(H,24,27)(H,25,26)/t17-/m1/s1
InChIKeyAEYPXMFAJWLALQ-QGZVFWFLSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980806
2-(2-tert-butylphenoxy)-N-(3-methylphenyl)propanamide
CID 53266482
2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 41176934
2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 7980882
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045738
2-[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl]oxy-N-phenylbenzamide
CID 41131403
(2R)-2-(2,5-dimethylphenoxy)-N-phenylpropanamide
CID 7379538
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The IUPAC name of 2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide (CID 7980902) is 2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide.
What is the SMILES notation for 2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The canonical SMILES for 2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide is Cc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
The InChIKey is AEYPXMFAJWLALQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-9-8-12-19(15-16)25-22(26)17(2)28-21-14-7-6-13-20(21)23(27)24-18-10-4-3-5-11-18/h3-15,17H,1-2H3,(H,24,27)(H,25,26)/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide?
2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide is sourced from PubChem (CID 7980902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).