N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide

C18H23N3O2 — CID 91955745

IUPACN-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3O2/c1-2-3-10-19-18(23)16-8-9-17(22)21(16)12-13-11-20-15-7-5-4-6-14(13)15/h4-7,11,16,20H,2-3,8-10,12H2,1H3,(H,19,23)
InChIKeyUYYYUJTYAMFQFD-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.58
Rot. Bonds6

About N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide

N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 91955745) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID91955745
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H23N3O2/c1-2-3-10-19-18(23)16-8-9-17(22)21(16)12-13-11-20-15-7-5-4-6-14(13)15/h4-7,11,16,20H,2-3,8-10,12H2,1H3,(H,19,23)
InChIKeyUYYYUJTYAMFQFD-UHFFFAOYSA-N
XLogP2.58
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954585
1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91955824
N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955799
N-[3-(3-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954637
1-(1H-indol-3-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955773
1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
CID 91955643
N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955675
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955596
1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 91955683
1-(1H-indol-3-ylmethyl)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91955710
1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 91955823
N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955626

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide (CID 91955745) is N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide is CCCCNC(=O)C1CCC(=O)N1Cc1c[nH]c2ccccc12.
What is the InChIKey of N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UYYYUJTYAMFQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-3-10-19-18(23)16-8-9-17(22)21(16)12-13-11-20-15-7-5-4-6-14(13)15/h4-7,11,16,20H,2-3,8-10,12H2,1H3,(H,19,23).
What are the key properties of N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91955745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).