N,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide

C21H26N2O5 — CID 650163

IUPACN,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H26N2O5/c1-25-17-9-7-14(12-19(17)27-3)22-21(24)16-6-5-11-23(16)15-8-10-18(26-2)20(13-15)28-4/h7-10,12-13,16H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyHNIHXHLFZJBPSO-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.33
Rot. Bonds7

About N,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide

N,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 650163) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID650163
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H26N2O5/c1-25-17-9-7-14(12-19(17)27-3)22-21(24)16-6-5-11-23(16)15-8-10-18(26-2)20(13-15)28-4/h7-10,12-13,16H,5-6,11H2,1-4H3,(H,22,24)
InChIKeyHNIHXHLFZJBPSO-UHFFFAOYSA-N
XLogP3.33
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide (CID 650163) is N,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCCN2c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of N,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is HNIHXHLFZJBPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-25-17-9-7-14(12-19(17)27-3)22-21(24)16-6-5-11-23(16)15-8-10-18(26-2)20(13-15)28-4/h7-10,12-13,16H,5-6,11H2,1-4H3,(H,22,24).
What are the key properties of N,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide?
N,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 650163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).