1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide

C15H21N3O — CID 81179461

IUPAC1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccccc2N2CCCC2)CCC1
InChIInChI=1S/C15H21N3O/c16-15(8-5-9-15)14(19)17-12-6-1-2-7-13(12)18-10-3-4-11-18/h1-2,6-7H,3-5,8-11,16H2,(H,17,19)
InChIKeyKMPXOANDFVUGCF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.11
Rot. Bonds3

About 1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide

1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide (PubChem CID 81179461) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
PubChem CID81179461
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
SMILESNC1(C(=O)Nc2ccccc2N2CCCC2)CCC1
InChIInChI=1S/C15H21N3O/c16-15(8-5-9-15)14(19)17-12-6-1-2-7-13(12)18-10-3-4-11-18/h1-2,6-7H,3-5,8-11,16H2,(H,17,19)
InChIKeyKMPXOANDFVUGCF-UHFFFAOYSA-N
XLogP2.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide (CID 81179461) is 1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide is NC1(C(=O)Nc2ccccc2N2CCCC2)CCC1.
What is the InChIKey of 1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide?
The InChIKey is KMPXOANDFVUGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-15(8-5-9-15)14(19)17-12-6-1-2-7-13(12)18-10-3-4-11-18/h1-2,6-7H,3-5,8-11,16H2,(H,17,19).
What are the key properties of 1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide?
1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81179461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).