N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide

C25H30ClN3O3 — CID 69146519

IUPACN-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide
SMILESCOc1ccc(C(=O)N2CC3CN(CCC(=O)Nc4ccc(C)c(Cl)c4)CC3C2)c(C)c1
InChIInChI=1S/C25H30ClN3O3/c1-16-4-5-20(11-23(16)26)27-24(30)8-9-28-12-18-14-29(15-19(18)13-28)25(31)22-7-6-21(32-3)10-17(22)2/h4-7,10-11,18-19H,8-9,12-15H2,1-3H3,(H,27,30)
InChIKeyURXIUXNCRABRLG-UHFFFAOYSA-N
MW455.99 g/mol
LogP4.00
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide

N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide (PubChem CID 69146519) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide
PubChem CID69146519
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC NameN-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide
SMILESCOc1ccc(C(=O)N2CC3CN(CCC(=O)Nc4ccc(C)c(Cl)c4)CC3C2)c(C)c1
InChIInChI=1S/C25H30ClN3O3/c1-16-4-5-20(11-23(16)26)27-24(30)8-9-28-12-18-14-29(15-19(18)13-28)25(31)22-7-6-21(32-3)10-17(22)2/h4-7,10-11,18-19H,8-9,12-15H2,1-3H3,(H,27,30)
InChIKeyURXIUXNCRABRLG-UHFFFAOYSA-N
XLogP4.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-[5-(5-methyl-1,2-oxazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide
CID 69148450
N-(3-chloro-4-methylphenyl)-3-[5-(2,4,6-trifluorobenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide
CID 69149034
N-(3-chloro-4-methylphenyl)-3-[5-(3-chloropyridine-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide
CID 69145989
N-(3-chloro-4-methylphenyl)-3-[5-(1,3,5-trimethylpyrazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide
CID 69148660
N-(3-chloro-4-methylphenyl)-3-[5-(3-methylpyridine-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide
CID 69148071
N-(3-chloro-4-methylphenyl)-3-[5-(4,6-dimethylpyrimidine-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide;2,2,2-trifluoroacetic acid
CID 69479187
N-(3-chloro-4-methylphenyl)-3-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide
CID 69149344
[2-[3-(3-chloro-4-methylanilino)propyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-ethoxyphenyl)methanone
CID 69147489
1-[2-[3-(3-chloro-4-methylanilino)propyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 58945958
[2-[3-(3-chloro-4-methylanilino)propyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-(dimethylamino)phenyl]methanone
CID 69147302
2-[2-[3-(3-chloro-4-methylanilino)propyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]benzonitrile
CID 69148434
(2-chloro-6-fluoro-3-methylphenyl)-[2-[3-(3-chloro-4-methylanilino)propyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 69149503

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide (CID 69146519) is N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide is COc1ccc(C(=O)N2CC3CN(CCC(=O)Nc4ccc(C)c(Cl)c4)CC3C2)c(C)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide?
The InChIKey is URXIUXNCRABRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O3/c1-16-4-5-20(11-23(16)26)27-24(30)8-9-28-12-18-14-29(15-19(18)13-28)25(31)22-7-6-21(32-3)10-17(22)2/h4-7,10-11,18-19H,8-9,12-15H2,1-3H3,(H,27,30).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide?
N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide has a molecular weight of 455.99 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-[5-(4-methoxy-2-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propanamide is sourced from PubChem (CID 69146519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).