(2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide

C15H18N2O3 — CID 44543282

IUPAC(2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide
SMILESC#CCOC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-3-9-20-11-14(17-12(2)18)15(19)16-10-13-7-5-4-6-8-13/h1,4-8,14H,9-11H2,2H3,(H,16,19)(H,17,18)/t14-/m1/s1
InChIKeyXJHGHHZJVROODQ-CQSZACIVSA-N
MW274.32 g/mol
LogP0.46
Rot. Bonds7

About (2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide

(2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide (PubChem CID 44543282) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide
PubChem CID44543282
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide
SMILESC#CCOC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-3-9-20-11-14(17-12(2)18)15(19)16-10-13-7-5-4-6-8-13/h1,4-8,14H,9-11H2,2H3,(H,16,19)(H,17,18)/t14-/m1/s1
InChIKeyXJHGHHZJVROODQ-CQSZACIVSA-N
XLogP0.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
(2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide
CID 44543285
2-acetamido-N-benzyl-4-phenylmethoxybutanamide
CID 123170982
(2S)-2-acetamido-3-(2-aminoethoxy)-N-[(4-ethynylphenyl)methyl]propanamide
CID 44542968
methyl 2-acetamido-3-prop-2-ynoxypropanoate
CID 75046402
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane
CID 160768830
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
(2R)-2-acetamido-N-benzyl-3-(benzyldisulfanyl)propanamide
CID 102043629
2-acetamido-N-benzyl-2-(hydroxyamino)acetamide
CID 14860703
tert-butyl N-[(2S)-1-oxo-3-phenylmethoxy-1-(prop-2-ynylamino)propan-2-yl]carbamate
CID 11500892
(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide?
The IUPAC name of (2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide (CID 44543282) is (2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide?
The canonical SMILES for (2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide is C#CCOC[C@@H](NC(C)=O)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide?
The InChIKey is XJHGHHZJVROODQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-9-20-11-14(17-12(2)18)15(19)16-10-13-7-5-4-6-8-13/h1,4-8,14H,9-11H2,2H3,(H,16,19)(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide?
(2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide has a molecular weight of 274.32 g/mol, XLogP of 0.46, 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-prop-2-ynoxypropanamide is sourced from PubChem (CID 44543282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).