(2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide

C20H24N2O3 — CID 144836010

IUPAC(2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCCN(C(=O)[C@H](Cc1ccccc1)NC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C20H24N2O3/c1-4-22(17-10-12-18(25-3)13-11-17)20(24)19(21-15(2)23)14-16-8-6-5-7-9-16/h5-13,19H,4,14H2,1-3H3,(H,21,23)/t19-/m0/s1
InChIKeyKOJWBUVINYOANF-IBGZPJMESA-N
MW340.42 g/mol
LogP2.80
Rot. Bonds7

About (2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide

(2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 144836010) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
PubChem CID144836010
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCCN(C(=O)[C@H](Cc1ccccc1)NC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C20H24N2O3/c1-4-22(17-10-12-18(25-3)13-11-17)20(24)19(21-15(2)23)14-16-8-6-5-7-9-16/h5-13,19H,4,14H2,1-3H3,(H,21,23)/t19-/m0/s1
InChIKeyKOJWBUVINYOANF-IBGZPJMESA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide (CID 144836010) is (2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide is CCN(C(=O)[C@H](Cc1ccccc1)NC(C)=O)c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is KOJWBUVINYOANF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-22(17-10-12-18(25-3)13-11-17)20(24)19(21-15(2)23)14-16-8-6-5-7-9-16/h5-13,19H,4,14H2,1-3H3,(H,21,23)/t19-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide?
(2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 340.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 144836010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).