(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide

C13H18N2O3 — CID 45110082

IUPAC(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
SMILES[2H]C([2H])([2H])OC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1/i2D3
InChIKeyVPPJLAIAVCUEMN-IBIJPGRPSA-N
MW253.32 g/mol
LogP0.45
Rot. Bonds7

About (2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide

(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide (PubChem CID 45110082) has the molecular formula C13H18N2O3 and a molecular weight of 253.32 g/mol. Its IUPAC name is (2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
PubChem CID45110082
Molecular FormulaC13H18N2O3
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
SMILES[2H]C([2H])([2H])OC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1/i2D3
InChIKeyVPPJLAIAVCUEMN-IBIJPGRPSA-N
XLogP0.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3,3-dideuterio-2-[(2,2,2-trideuterioacetyl)amino]-3-(trideuteriomethoxy)propanamide
CID 45111994
(2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide
CID 44543282
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
2-acetamido-N-benzyl-4-phenylmethoxybutanamide
CID 123170982
(2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide
CID 44543285
(2R)-2-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 45486412
(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407
2-acetamido-N-[(3-fluorophenyl)methyl]-3-methoxypropanamide
CID 23240473
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
(2R)-2-acetamido-N-benzyl-3-(benzyldisulfanyl)propanamide
CID 102043629
2-acetamido-N-benzyl-2-(hydroxyamino)acetamide
CID 14860703
(2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide
CID 10979254

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide?
The IUPAC name of (2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide (CID 45110082) is (2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide.
What is the SMILES notation for (2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide?
The canonical SMILES for (2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide is [2H]C([2H])([2H])OC[C@@H](NC(C)=O)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide?
The InChIKey is VPPJLAIAVCUEMN-IBIJPGRPSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1/i2D3.
What are the key properties of (2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide?
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide has a molecular weight of 253.32 g/mol, XLogP of 0.45, 7 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-(trideuteriomethoxy)propanamide is sourced from PubChem (CID 45110082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).