(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide

C22H20N2O4 — CID 7231677

IUPAC(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O4/c1-15-14-19(24(26)27)10-13-21(15)23-22(25)16(2)28-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyWKZSOFYMKRLXSZ-MRXNPFEDSA-N
MW376.41 g/mol
LogP4.98
Rot. Bonds6

About (2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide

(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide (PubChem CID 7231677) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide
PubChem CID7231677
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O4/c1-15-14-19(24(26)27)10-13-21(15)23-22(25)16(2)28-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyWKZSOFYMKRLXSZ-MRXNPFEDSA-N
XLogP4.98
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453832
(2S)-N-(2-methyl-4-nitrophenyl)-2-phenoxypropanamide
CID 7453834
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
CID 2253744
N-(4-chloro-2-methylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191556
(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7212772
(2S)-2-(4-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 719492
(2R)-N-(2-methyl-5-nitrophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9239004
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
2-(4-tert-butylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17046256
N-[1-(3-nitrophenyl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 55876472
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methyl-4-nitrophenyl)propanamide
CID 7082956
(2S)-2-(4-ethylphenoxy)-N-(2-methyl-5-nitrophenyl)propanamide
CID 9236398

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide?
The IUPAC name of (2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide (CID 7231677) is (2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for (2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide?
The InChIKey is WKZSOFYMKRLXSZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-15-14-19(24(26)27)10-13-21(15)23-22(25)16(2)28-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide?
(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide has a molecular weight of 376.41 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 7231677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).