N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide

C16H20N2O — CID 110769169

IUPACN-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cc1cc[nH]c1
InChIInChI=1S/C16H20N2O/c1-13(2)18(12-14-6-4-3-5-7-14)16(19)10-15-8-9-17-11-15/h3-9,11,13,17H,10,12H2,1-2H3
InChIKeyGETNQICRMLYSOQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.99
Rot. Bonds5

About N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide

N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide (PubChem CID 110769169) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide
PubChem CID110769169
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cc1cc[nH]c1
InChIInChI=1S/C16H20N2O/c1-13(2)18(12-14-6-4-3-5-7-14)16(19)10-15-8-9-17-11-15/h3-9,11,13,17H,10,12H2,1-2H3
InChIKeyGETNQICRMLYSOQ-UHFFFAOYSA-N
XLogP2.99
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cotinine
CID 854019
Norcotinine
CID 413
(+-)-Cotinine
CID 408
N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489242
R-(+)-Cotinine
CID 21907
Phenatine
CID 120640
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
N-(3,3-Diphenyl-propyl)-2-pyridine-3-ylacetamide
CID 11976254
N-2-phenylethyl-1H-pyrrole-2-carboxamide
CID 16110286
N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110288
N-((4-Methylphenyl)methyl)-1H-pyrrole-2-carboxamide
CID 1489245

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide (CID 110769169) is N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide is CC(C)N(Cc1ccccc1)C(=O)Cc1cc[nH]c1.
What is the InChIKey of N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide?
The InChIKey is GETNQICRMLYSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(2)18(12-14-6-4-3-5-7-14)16(19)10-15-8-9-17-11-15/h3-9,11,13,17H,10,12H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide?
N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide has a molecular weight of 256.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 110769169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).