(2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide

C19H22N2O3 — CID 46902056

IUPAC(2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide
SMILESCC(=O)N[C@H](COCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-15(22)21-18(14-24-13-17-10-6-3-7-11-17)19(23)20-12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,20,23)(H,21,22)/t18-/m1/s1
InChIKeyWQLPGWXFBWLNQJ-GOSISDBHSA-N
MW326.40 g/mol
LogP2.02
Rot. Bonds8

About (2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide

(2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide (PubChem CID 46902056) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide
PubChem CID46902056
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide
SMILESCC(=O)N[C@H](COCc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-15(22)21-18(14-24-13-17-10-6-3-7-11-17)19(23)20-12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,20,23)(H,21,22)/t18-/m1/s1
InChIKeyWQLPGWXFBWLNQJ-GOSISDBHSA-N
XLogP2.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide (CID 46902056) is (2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide is CC(=O)N[C@H](COCc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide?
The InChIKey is WQLPGWXFBWLNQJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-15(22)21-18(14-24-13-17-10-6-3-7-11-17)19(23)20-12-16-8-4-2-5-9-16/h2-11,18H,12-14H2,1H3,(H,20,23)(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide?
(2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide has a molecular weight of 326.40 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-benzyl-3-phenylmethoxypropanamide is sourced from PubChem (CID 46902056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).