(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide

C22H22N2O3 — CID 2203307

IUPAC(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-16(27-21-14-12-20(26-2)13-15-21)22(25)24-19-10-8-18(9-11-19)23-17-6-4-3-5-7-17/h3-16,23H,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyDUJIHUGNCKSACG-MRXNPFEDSA-N
MW362.43 g/mol
LogP4.84
Rot. Bonds7

About (2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide

(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide (PubChem CID 2203307) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
PubChem CID2203307
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-16(27-21-14-12-20(26-2)13-15-21)22(25)24-19-10-8-18(9-11-19)23-17-6-4-3-5-7-17/h3-16,23H,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyDUJIHUGNCKSACG-MRXNPFEDSA-N
XLogP4.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide (CID 2203307) is (2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide is COc1ccc(O[C@H](C)C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of (2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide?
The InChIKey is DUJIHUGNCKSACG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-16(27-21-14-12-20(26-2)13-15-21)22(25)24-19-10-8-18(9-11-19)23-17-6-4-3-5-7-17/h3-16,23H,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide?
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide has a molecular weight of 362.43 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 2203307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).