N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

C27H41N3O2 — CID 108791094

IUPACN-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C27H41N3O2/c31-26-20-22(21-30(26)25-16-14-24(15-17-25)29-18-10-11-19-29)27(32)28-23-12-8-6-4-2-1-3-5-7-9-13-23/h14-17,22-23H,1-13,18-21H2,(H,28,32)
InChIKeyZVCJRJNLPXYIBC-UHFFFAOYSA-N
MW439.64 g/mol
LogP5.43
Rot. Bonds4

About N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide

N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 108791094) has the molecular formula C27H41N3O2 and a molecular weight of 439.64 g/mol. Its IUPAC name is N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID108791094
Molecular FormulaC27H41N3O2
Molecular Weight439.64 g/mol
Exact Mass439.32
IUPAC NameN-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCCCCCCCC1)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C27H41N3O2/c31-26-20-22(21-30(26)25-16-14-24(15-17-25)29-18-10-11-19-29)27(32)28-23-12-8-6-4-2-1-3-5-7-9-13-23/h14-17,22-23H,1-13,18-21H2,(H,28,32)
InChIKeyZVCJRJNLPXYIBC-UHFFFAOYSA-N
XLogP5.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.64
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189874
1-(4-bromophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113188040
N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081982
N-cyclohexyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2850553
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
(3S)-1-(4-acetamidophenyl)-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40965785
(3S)-1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 51717969
N-cyclopentyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 18525226
N-cyclooctyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 42996336
N-cyclooctyl-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118805
N-cyclohexyl-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190121
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide (CID 108791094) is N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is O=C(NC1CCCCCCCCCCC1)C1CC(=O)N(c2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ZVCJRJNLPXYIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O2/c31-26-20-22(21-30(26)25-16-14-24(15-17-25)29-18-10-11-19-29)27(32)28-23-12-8-6-4-2-1-3-5-7-9-13-23/h14-17,22-23H,1-13,18-21H2,(H,28,32).
What are the key properties of N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide?
N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 439.64 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 108791094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).