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

C15H29N3O — CID 66209518

IUPACN-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
SMILESCCC(C)NC(=O)C(C)N1CC2CNCC2C1CC
InChIInChI=1S/C15H29N3O/c1-5-10(3)17-15(19)11(4)18-9-12-7-16-8-13(12)14(18)6-2/h10-14,16H,5-9H2,1-4H3,(H,17,19)
InChIKeyJMNAKRQFYFKFIY-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.22
Rot. Bonds5

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

N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide (PubChem CID 66209518) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
PubChem CID66209518
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
SMILESCCC(C)NC(=O)C(C)N1CC2CNCC2C1CC
InChIInChI=1S/C15H29N3O/c1-5-10(3)17-15(19)11(4)18-9-12-7-16-8-13(12)14(18)6-2/h10-14,16H,5-9H2,1-4H3,(H,17,19)
InChIKeyJMNAKRQFYFKFIY-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-pentylpropanamide
CID 66210282
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoic acid
CID 66210280
N-cyclohexyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
CID 66208739
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide
CID 66209506
methyl 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanoate
CID 66209333
N-butan-2-yl-2-(2-methylpiperazin-1-yl)propanamide
CID 62671760
ethyl 3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanoate
CID 66209139
N-butan-2-yl-2-(2,5-dimethylpiperazin-1-yl)propanamide
CID 64980597
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-heptan-2-ylacetamide
CID 66208360
5-(1-cyclopropylethyl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210236
ethyl 2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentanoate
CID 83049959
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66210096

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide?
The IUPAC name of N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide (CID 66209518) is N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide?
The canonical SMILES for N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide is CCC(C)NC(=O)C(C)N1CC2CNCC2C1CC.
What is the InChIKey of N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide?
The InChIKey is JMNAKRQFYFKFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-10(3)17-15(19)11(4)18-9-12-7-16-8-13(12)14(18)6-2/h10-14,16H,5-9H2,1-4H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide?
N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide has a molecular weight of 267.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide is sourced from PubChem (CID 66209518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).