(2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide

C15H17N3O2 — CID 54513185

IUPAC(2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide
SMILESCC(=O)N[C@@H](C(=O)NCc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C15H17N3O2/c1-11(19)18-14(13-8-5-9-16-13)15(20)17-10-12-6-3-2-4-7-12/h2-9,14,16H,10H2,1H3,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyYKOROOIYLWQAEC-CQSZACIVSA-N
MW271.32 g/mol
LogP1.51
Rot. Bonds5

About (2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide

(2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 54513185) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide
PubChem CID54513185
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide
SMILESCC(=O)N[C@@H](C(=O)NCc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C15H17N3O2/c1-11(19)18-14(13-8-5-9-16-13)15(20)17-10-12-6-3-2-4-7-12/h2-9,14,16H,10H2,1H3,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyYKOROOIYLWQAEC-CQSZACIVSA-N
XLogP1.51
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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2-acetamido-N-benzyl-2-(phenylcarbamothioylamino)acetamide
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N-benzyl-2-(benzylamino)-2-phenylacetamide
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CID 171785861
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of (2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide (CID 54513185) is (2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for (2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for (2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide is CC(=O)N[C@@H](C(=O)NCc1ccccc1)c1ccc[nH]1.
What is the InChIKey of (2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is YKOROOIYLWQAEC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(19)18-14(13-8-5-9-16-13)15(20)17-10-12-6-3-2-4-7-12/h2-9,14,16H,10H2,1H3,(H,17,20)(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide?
(2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-benzyl-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 54513185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).