N-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide

C15H28N4O2 — CID 66207398

IUPACN-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCCCCNC(=O)NC(=O)CN1CC2CNCC2C1CC
InChIInChI=1S/C15H28N4O2/c1-3-5-6-17-15(21)18-14(20)10-19-9-11-7-16-8-12(11)13(19)4-2/h11-13,16H,3-10H2,1-2H3,(H2,17,18,20,21)
InChIKeyDWAKHSUXRLHMQT-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.54
Rot. Bonds6

About N-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide

N-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (PubChem CID 66207398) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
PubChem CID66207398
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC NameN-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
SMILESCCCCNC(=O)NC(=O)CN1CC2CNCC2C1CC
InChIInChI=1S/C15H28N4O2/c1-3-5-6-17-15(21)18-14(20)10-19-9-11-7-16-8-12(11)13(19)4-2/h11-13,16H,3-10H2,1-2H3,(H2,17,18,20,21)
InChIKeyDWAKHSUXRLHMQT-UHFFFAOYSA-N
XLogP0.54
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide (CID 66207398) is N-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is CCCCNC(=O)NC(=O)CN1CC2CNCC2C1CC.
What is the InChIKey of N-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
The InChIKey is DWAKHSUXRLHMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-3-5-6-17-15(21)18-14(20)10-19-9-11-7-16-8-12(11)13(19)4-2/h11-13,16H,3-10H2,1-2H3,(H2,17,18,20,21).
What are the key properties of N-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide?
N-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide has a molecular weight of 296.42 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide is sourced from PubChem (CID 66207398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).