(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide

C23H22N2O4 — CID 94093464

IUPAC(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C23H22N2O4/c1-16(23(27)25-19-9-13-20(14-10-19)28-15-22(24)26)29-21-11-7-18(8-12-21)17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H2,24,26)(H,25,27)/t16-/m0/s1
InChIKeyYQTAJIXUFBFYDN-INIZCTEOSA-N
MW390.44 g/mol
LogP3.62
Rot. Bonds8

About (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide

(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide (PubChem CID 94093464) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
PubChem CID94093464
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
SMILESC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C23H22N2O4/c1-16(23(27)25-19-9-13-20(14-10-19)28-15-22(24)26)29-21-11-7-18(8-12-21)17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H2,24,26)(H,25,27)/t16-/m0/s1
InChIKeyYQTAJIXUFBFYDN-INIZCTEOSA-N
XLogP3.62
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17097694
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
4-[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]benzamide
CID 1177972
2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 2898320
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130212
2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
CID 4952534
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-(4-phenylphenoxy)propanamide
CID 43915059
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
The IUPAC name of (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide (CID 94093464) is (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide is C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
The InChIKey is YQTAJIXUFBFYDN-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-16(23(27)25-19-9-13-20(14-10-19)28-15-22(24)26)29-21-11-7-18(8-12-21)17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H2,24,26)(H,25,27)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide?
(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide has a molecular weight of 390.44 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 94093464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).