N-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide

C17H31N3O — CID 66242551

IUPACN-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1)N1CC2CNCC2C1(C)C
InChIInChI=1S/C17H31N3O/c1-12(16(21)19-14-7-5-4-6-8-14)20-11-13-9-18-10-15(13)17(20,2)3/h12-15,18H,4-11H2,1-3H3,(H,19,21)
InChIKeySMCMQEZQTWFVKD-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.75
Rot. Bonds3

About N-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide

N-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide (PubChem CID 66242551) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide
PubChem CID66242551
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1)N1CC2CNCC2C1(C)C
InChIInChI=1S/C17H31N3O/c1-12(16(21)19-14-7-5-4-6-8-14)20-11-13-9-18-10-15(13)17(20,2)3/h12-15,18H,4-11H2,1-3H3,(H,19,21)
InChIKeySMCMQEZQTWFVKD-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-pentylpropanamide
CID 66244408
5-(1-cyclopentylethyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66242501
N-cyclohexyl-2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
CID 66208739
2-(azetidin-3-yl)-N-cyclopentylpropanamide
CID 116674243
2-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-N-cyclohexylpropanamide
CID 64850648
5-heptan-4-yl-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66208204
1-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-1-one
CID 66244795
N-cycloheptyl-2-pyrazol-1-ylpropanamide
CID 47156273
N-cyclopentyl-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propanamide
CID 79411085
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-cyclopentylpropanamide
CID 102682591
4,4-dimethyl-5-octan-2-yl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66208974
N-cyclohexyl-2-[4-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 115305201

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide?
The IUPAC name of N-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide (CID 66242551) is N-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide?
The canonical SMILES for N-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide is CC(C(=O)NC1CCCCC1)N1CC2CNCC2C1(C)C.
What is the InChIKey of N-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide?
The InChIKey is SMCMQEZQTWFVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-12(16(21)19-14-7-5-4-6-8-14)20-11-13-9-18-10-15(13)17(20,2)3/h12-15,18H,4-11H2,1-3H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide?
N-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide has a molecular weight of 293.46 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanamide is sourced from PubChem (CID 66242551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).