1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide

C18H25N3O3 — CID 56797916

IUPAC1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCc2ccccc2OC2CCCC2)C1
InChIInChI=1S/C18H25N3O3/c19-17(22)14-9-10-21(12-14)18(23)20-11-13-5-1-4-8-16(13)24-15-6-2-3-7-15/h1,4-5,8,14-15H,2-3,6-7,9-12H2,(H2,19,22)(H,20,23)
InChIKeyLGLYXCNWLYXGMU-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.02
Rot. Bonds5

About 1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide

1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 56797916) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide
PubChem CID56797916
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCc2ccccc2OC2CCCC2)C1
InChIInChI=1S/C18H25N3O3/c19-17(22)14-9-10-21(12-14)18(23)20-11-13-5-1-4-8-16(13)24-15-6-2-3-7-15/h1,4-5,8,14-15H,2-3,6-7,9-12H2,(H2,19,22)(H,20,23)
InChIKeyLGLYXCNWLYXGMU-UHFFFAOYSA-N
XLogP2.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122322
(3R)-N-[(2-cyclobutyloxyphenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 98203831
N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 52710137
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
1-[(2-cyclobutyloxyphenyl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122002784
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
(3aR,7aS)-N-[(2-cyclobutyloxyphenyl)methyl]-6-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine-1-carboxamide
CID 124885282
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94658479
(3R)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94650730
(3S)-1-N-[(2-bromo-5-fluorophenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94650729

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide (CID 56797916) is 1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide is NC(=O)C1CCN(C(=O)NCc2ccccc2OC2CCCC2)C1.
What is the InChIKey of 1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is LGLYXCNWLYXGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-17(22)14-9-10-21(12-14)18(23)20-11-13-5-1-4-8-16(13)24-15-6-2-3-7-15/h1,4-5,8,14-15H,2-3,6-7,9-12H2,(H2,19,22)(H,20,23).
What are the key properties of 1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide?
1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-cyclopentyloxyphenyl)methyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 56797916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).