N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide

C27H35N3O2 — CID 59558048

IUPACN-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide
SMILESCN1C[C@@H]2CCN(c3ccc(NC(=O)c4ccc(OCC5CCCCC5)cc4)cc3)[C@@H]2C1
InChIInChI=1S/C27H35N3O2/c1-29-17-22-15-16-30(26(22)18-29)24-11-9-23(10-12-24)28-27(31)21-7-13-25(14-8-21)32-19-20-5-3-2-4-6-20/h7-14,20,22,26H,2-6,15-19H2,1H3,(H,28,31)/t22-,26+/m0/s1
InChIKeyXITDZBJSVDLSSK-BKMJKUGQSA-N
MW433.60 g/mol
LogP5.04
Rot. Bonds6

About N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide

N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide (PubChem CID 59558048) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide
PubChem CID59558048
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide
SMILESCN1C[C@@H]2CCN(c3ccc(NC(=O)c4ccc(OCC5CCCCC5)cc4)cc3)[C@@H]2C1
InChIInChI=1S/C27H35N3O2/c1-29-17-22-15-16-30(26(22)18-29)24-11-9-23(10-12-24)28-27(31)21-7-13-25(14-8-21)32-19-20-5-3-2-4-6-20/h7-14,20,22,26H,2-6,15-19H2,1H3,(H,28,31)/t22-,26+/m0/s1
InChIKeyXITDZBJSVDLSSK-BKMJKUGQSA-N
XLogP5.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(oxan-2-ylmethoxy)benzamide
CID 59558029
4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867737
4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 131944928
4-(cyclopropylmethoxy)-N-[4-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)phenyl]benzamide
CID 59030498
N-[4-[(3aR,6aR)-5-(cyclopentylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide
CID 59558119
4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
N-[4-[(3aR,6aR)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide
CID 59558187
N-[4-[(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 59558121
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 75371278

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide?
The IUPAC name of N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide (CID 59558048) is N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide.
What is the SMILES notation for N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide?
The canonical SMILES for N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide is CN1C[C@@H]2CCN(c3ccc(NC(=O)c4ccc(OCC5CCCCC5)cc4)cc3)[C@@H]2C1.
What is the InChIKey of N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide?
The InChIKey is XITDZBJSVDLSSK-BKMJKUGQSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-29-17-22-15-16-30(26(22)18-29)24-11-9-23(10-12-24)28-27(31)21-7-13-25(14-8-21)32-19-20-5-3-2-4-6-20/h7-14,20,22,26H,2-6,15-19H2,1H3,(H,28,31)/t22-,26+/m0/s1.
What are the key properties of N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide?
N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide has a molecular weight of 433.60 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide is sourced from PubChem (CID 59558048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).