2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide

C13H22N2O — CID 75431827

IUPAC2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc[nH]1
InChIInChI=1S/C13H22N2O/c1-3-6-11(7-4-2)13(16)15-10-12-8-5-9-14-12/h5,8-9,11,14H,3-4,6-7,10H2,1-2H3,(H,15,16)
InChIKeyAXPYGGUVSJVTGP-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.85
Rot. Bonds7

About 2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide

2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide (PubChem CID 75431827) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide
PubChem CID75431827
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide
SMILESCCCC(CCC)C(=O)NCc1ccc[nH]1
InChIInChI=1S/C13H22N2O/c1-3-6-11(7-4-2)13(16)15-10-12-8-5-9-14-12/h5,8-9,11,14H,3-4,6-7,10H2,1-2H3,(H,15,16)
InChIKeyAXPYGGUVSJVTGP-UHFFFAOYSA-N
XLogP2.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
ethyl N-(1H-pyrrol-2-ylmethyl)carbamate
CID 110374915
4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
CID 115156710
2-(ethylamino)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 115157893
N-(1H-pyrrol-2-ylmethyl)hexan-3-amine
CID 62338893
N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
CID 115167176
N'-(1H-pyrrol-2-ylmethyl)oxamide
CID 115191836
(2R)-2-(4-chlorophenoxy)-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 95934284
N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide
CID 82984622
N-[[3-(hydroxymethyl)phenyl]methyl]-2-propylpentanamide
CID 115532885
2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110468489

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide?
The IUPAC name of 2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide (CID 75431827) is 2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide?
The canonical SMILES for 2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide is CCCC(CCC)C(=O)NCc1ccc[nH]1.
What is the InChIKey of 2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide?
The InChIKey is AXPYGGUVSJVTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-6-11(7-4-2)13(16)15-10-12-8-5-9-14-12/h5,8-9,11,14H,3-4,6-7,10H2,1-2H3,(H,15,16).
What are the key properties of 2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide?
2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide has a molecular weight of 222.33 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide is sourced from PubChem (CID 75431827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).