N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide

C24H35N3O2 — CID 138807668

IUPACN-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCCC(=O)N1CC2CN(C(=O)NC3CCCCC3)CC2(CCc2ccccc2)C1
InChIInChI=1S/C24H35N3O2/c1-2-22(28)26-15-20-16-27(23(29)25-21-11-7-4-8-12-21)18-24(20,17-26)14-13-19-9-5-3-6-10-19/h3,5-6,9-10,20-21H,2,4,7-8,11-18H2,1H3,(H,25,29)
InChIKeyWJBITVQMLPGACC-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.83
Rot. Bonds5

About N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide

N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 138807668) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID138807668
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCCC(=O)N1CC2CN(C(=O)NC3CCCCC3)CC2(CCc2ccccc2)C1
InChIInChI=1S/C24H35N3O2/c1-2-22(28)26-15-20-16-27(23(29)25-21-11-7-4-8-12-21)18-24(20,17-26)14-13-19-9-5-3-6-10-19/h3,5-6,9-10,20-21H,2,4,7-8,11-18H2,1H3,(H,25,29)
InChIKeyWJBITVQMLPGACC-UHFFFAOYSA-N
XLogP3.83
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide 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

2-ethoxy-1-[5-(2-methylsulfanylacetyl)-3a-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]ethanone
CID 138382100
N-cyclohexyl-4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazine-1-carboxamide
CID 55634615
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336
3-[2-[(3aS,6aR)-2-acetyl-3a-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 166616853
4-ethyl-N-(1-methylpiperidin-4-yl)-4-(2-phenylethyl)piperidine-1-carboxamide
CID 122417522
5-[3-[(3aS,6aR)-2-acetyl-3a-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 165424965
3-[3-[(3aS,6aR)-2-acetyl-3a-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 165425532
(3aR,7aR)-2-benzyl-N-cyclohexyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-5-carboxamide
CID 146068625
N-cyclohexyl-1,1-dioxo-2-phenyl-1,4-thiazinane-4-carboxamide
CID 110747168
N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide
CID 23139887
(1S,5S,7R)-3-benzyl-N-cyclopentyl-4,4-dioxo-11-oxa-4λ6-thia-3,9-diazatricyclo[5.3.1.01,5]undecane-9-carboxamide
CID 155902648
1-[(3aR,7aS)-3a-(hydroxymethyl)-5-propan-2-yl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]-3-phenylpropan-1-one;hydrochloride
CID 171326134

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide (CID 138807668) is N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide is CCC(=O)N1CC2CN(C(=O)NC3CCCCC3)CC2(CCc2ccccc2)C1.
What is the InChIKey of N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is WJBITVQMLPGACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-2-22(28)26-15-20-16-27(23(29)25-21-11-7-4-8-12-21)18-24(20,17-26)14-13-19-9-5-3-6-10-19/h3,5-6,9-10,20-21H,2,4,7-8,11-18H2,1H3,(H,25,29).
What are the key properties of N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide?
N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3a-(2-phenylethyl)-2-propanoyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 138807668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).