N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide

C27H39N3O3 — CID 24965354

IUPACN-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1CCc1ccc(C2CCC3CN(C(=O)C4CCOCC4)CC32)cc1
InChIInChI=1S/C27H39N3O3/c1-28-26(31)25-3-2-13-29(25)14-10-19-4-6-20(7-5-19)23-9-8-22-17-30(18-24(22)23)27(32)21-11-15-33-16-12-21/h4-7,21-25H,2-3,8-18H2,1H3,(H,28,31)
InChIKeyMQCCZJMCMRAWIF-UHFFFAOYSA-N
MW453.63 g/mol
LogP2.82
Rot. Bonds6

About N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide

N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 24965354) has the molecular formula C27H39N3O3 and a molecular weight of 453.63 g/mol. Its IUPAC name is N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID24965354
Molecular FormulaC27H39N3O3
Molecular Weight453.63 g/mol
Exact Mass453.30
IUPAC NameN-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1CCc1ccc(C2CCC3CN(C(=O)C4CCOCC4)CC32)cc1
InChIInChI=1S/C27H39N3O3/c1-28-26(31)25-3-2-13-29(25)14-10-19-4-6-20(7-5-19)23-9-8-22-17-30(18-24(22)23)27(32)21-11-15-33-16-12-21/h4-7,21-25H,2-3,8-18H2,1H3,(H,28,31)
InChIKeyMQCCZJMCMRAWIF-UHFFFAOYSA-N
XLogP2.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.63
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide (CID 24965354) is N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide is CNC(=O)C1CCCN1CCc1ccc(C2CCC3CN(C(=O)C4CCOCC4)CC32)cc1.
What is the InChIKey of N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is MQCCZJMCMRAWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O3/c1-28-26(31)25-3-2-13-29(25)14-10-19-4-6-20(7-5-19)23-9-8-22-17-30(18-24(22)23)27(32)21-11-15-33-16-12-21/h4-7,21-25H,2-3,8-18H2,1H3,(H,28,31).
What are the key properties of N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide?
N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 453.63 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[4-[2-(oxane-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24965354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).