N-(3-butoxyphenyl)pyrrolidine-3-carboxamide

C15H22N2O2 — CID 119745768

IUPACN-(3-butoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCCOc1cccc(NC(=O)C2CCNC2)c1
InChIInChI=1S/C15H22N2O2/c1-2-3-9-19-14-6-4-5-13(10-14)17-15(18)12-7-8-16-11-12/h4-6,10,12,16H,2-3,7-9,11H2,1H3,(H,17,18)
InChIKeyYUYVFKXKJPERQD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.41
Rot. Bonds6

About N-(3-butoxyphenyl)pyrrolidine-3-carboxamide

N-(3-butoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 119745768) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3-butoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-butoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID119745768
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3-butoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCCOc1cccc(NC(=O)C2CCNC2)c1
InChIInChI=1S/C15H22N2O2/c1-2-3-9-19-14-6-4-5-13(10-14)17-15(18)12-7-8-16-11-12/h4-6,10,12,16H,2-3,7-9,11H2,1H3,(H,17,18)
InChIKeyYUYVFKXKJPERQD-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
CID 119885879
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 63005560
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790
N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119745760
N-[3-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306015
N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
CID 119785210
N-(2-methyl-4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 119739476
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452
N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119303125
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119323699
N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844260

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-butoxyphenyl)pyrrolidine-3-carboxamide (CID 119745768) is N-(3-butoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-butoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-butoxyphenyl)pyrrolidine-3-carboxamide is CCCCOc1cccc(NC(=O)C2CCNC2)c1.
What is the InChIKey of N-(3-butoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is YUYVFKXKJPERQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-9-19-14-6-4-5-13(10-14)17-15(18)12-7-8-16-11-12/h4-6,10,12,16H,2-3,7-9,11H2,1H3,(H,17,18).
What are the key properties of N-(3-butoxyphenyl)pyrrolidine-3-carboxamide?
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119745768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).