N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide

C20H34N4O2 — CID 142959999

IUPACN-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide
SMILESCCCCNC(=O)CC1CCCC1.CCCCNC(=O)c1cnccn1
InChIInChI=1S/C11H21NO.C9H13N3O/c1-2-3-8-12-11(13)9-10-6-4-5-7-10;1-2-3-4-12-9(13)8-7-10-5-6-11-8/h10H,2-9H2,1H3,(H,12,13);5-7H,2-4H2,1H3,(H,12,13)
InChIKeyBWHIVHSPAIYIPW-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.49
Rot. Bonds9

About N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide

N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide (PubChem CID 142959999) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide
PubChem CID142959999
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide
SMILESCCCCNC(=O)CC1CCCC1.CCCCNC(=O)c1cnccn1
InChIInChI=1S/C11H21NO.C9H13N3O/c1-2-3-8-12-11(13)9-10-6-4-5-7-10;1-2-3-4-12-9(13)8-7-10-5-6-11-8/h10H,2-9H2,1H3,(H,12,13);5-7H,2-4H2,1H3,(H,12,13)
InChIKeyBWHIVHSPAIYIPW-UHFFFAOYSA-N
XLogP3.49
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[3-(butylamino)-3-oxopropyl]-N-cyclopropylpyrazine-2-carboxamide
CID 42783322
2-cyclohexyl-N-octylacetamide
CID 3547359
2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-(3-butoxypropyl)-2-cyclopentylacetamide
CID 78785153
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
N-butyl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109202468
2-cyclopropyl-N-pentylacetamide
CID 66755217
N'-(3-cyclohexylpropanoyl)pyrazine-2-carbohydrazide
CID 754531
tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
CID 108918789

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide?
The IUPAC name of N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide (CID 142959999) is N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide?
The canonical SMILES for N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide is CCCCNC(=O)CC1CCCC1.CCCCNC(=O)c1cnccn1.
What is the InChIKey of N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide?
The InChIKey is BWHIVHSPAIYIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C9H13N3O/c1-2-3-8-12-11(13)9-10-6-4-5-7-10;1-2-3-4-12-9(13)8-7-10-5-6-11-8/h10H,2-9H2,1H3,(H,12,13);5-7H,2-4H2,1H3,(H,12,13).
What are the key properties of N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide?
N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-cyclopentylacetamide;N-butylpyrazine-2-carboxamide is sourced from PubChem (CID 142959999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).