N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

C23H29N3O2 — CID 43047470

IUPACN-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCCN(C)Cc2ccccc2)c(C)n1Cc1ccco1
InChIInChI=1S/C23H29N3O2/c1-18-15-22(19(2)26(18)17-21-11-7-14-28-21)23(27)24-12-8-13-25(3)16-20-9-5-4-6-10-20/h4-7,9-11,14-15H,8,12-13,16-17H2,1-3H3,(H,24,27)
InChIKeyUPHHARPWCRGGHF-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.00
Rot. Bonds9

About N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 43047470) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID43047470
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCCN(C)Cc2ccccc2)c(C)n1Cc1ccco1
InChIInChI=1S/C23H29N3O2/c1-18-15-22(19(2)26(18)17-21-11-7-14-28-21)23(27)24-12-8-13-25(3)16-20-9-5-4-6-10-20/h4-7,9-11,14-15H,8,12-13,16-17H2,1-3H3,(H,24,27)
InChIKeyUPHHARPWCRGGHF-UHFFFAOYSA-N
XLogP4.00
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (CID 43047470) is N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NCCCN(C)Cc2ccccc2)c(C)n1Cc1ccco1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is UPHHARPWCRGGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-15-22(19(2)26(18)17-21-11-7-14-28-21)23(27)24-12-8-13-25(3)16-20-9-5-4-6-10-20/h4-7,9-11,14-15H,8,12-13,16-17H2,1-3H3,(H,24,27).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 43047470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).