N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide

C11H19N3O — CID 67602472

IUPACN-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide
SMILESCC(=O)NCCCCCNc1ccc[nH]1
InChIInChI=1S/C11H19N3O/c1-10(15)12-7-3-2-4-8-13-11-6-5-9-14-11/h5-6,9,13-14H,2-4,7-8H2,1H3,(H,12,15)
InChIKeyFDRQPBHPGFIPKN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds7

About N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide

N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide (PubChem CID 67602472) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide.

Molecular Properties

Compound NameN-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide
PubChem CID67602472
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide
SMILESCC(=O)NCCCCCNc1ccc[nH]1
InChIInChI=1S/C11H19N3O/c1-10(15)12-7-3-2-4-8-13-11-6-5-9-14-11/h5-6,9,13-14H,2-4,7-8H2,1H3,(H,12,15)
InChIKeyFDRQPBHPGFIPKN-UHFFFAOYSA-N
XLogP1.73
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 163759001
N-[4-(1H-indol-3-yl)butyl]acetamide
CID 132534601
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[5-(2-hydroxyphenyl)-5-oxopentyl]acetamide
CID 70466326
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
lithium;N-ethyl-1H-pyrrol-2-amine;hydride
CID 173205429
N-(6-acetamidohexyl)-2-iodoacetamide
CID 89340654
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
3-methyl-4-(1H-pyrrol-2-ylamino)butanoic acid
CID 115219718

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide?
The IUPAC name of N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide (CID 67602472) is N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide.
What is the SMILES notation for N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide?
The canonical SMILES for N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide is CC(=O)NCCCCCNc1ccc[nH]1.
What is the InChIKey of N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide?
The InChIKey is FDRQPBHPGFIPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(15)12-7-3-2-4-8-13-11-6-5-9-14-11/h5-6,9,13-14H,2-4,7-8H2,1H3,(H,12,15).
What are the key properties of N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide?
N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide has a molecular weight of 209.29 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide is sourced from PubChem (CID 67602472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).