N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide

C19H22N2O2 — CID 119785210

IUPACN-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1COc1cccc(NC(=O)C2CCNC2)c1
InChIInChI=1S/C19H22N2O2/c1-14-5-2-3-6-16(14)13-23-18-8-4-7-17(11-18)21-19(22)15-9-10-20-12-15/h2-8,11,15,20H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyXGDGQZKTPIWULH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.12
Rot. Bonds5

About N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide

N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide (PubChem CID 119785210) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
PubChem CID119785210
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1COc1cccc(NC(=O)C2CCNC2)c1
InChIInChI=1S/C19H22N2O2/c1-14-5-2-3-6-16(14)13-23-18-8-4-7-17(11-18)21-19(22)15-9-10-20-12-15/h2-8,11,15,20H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyXGDGQZKTPIWULH-UHFFFAOYSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-[(2-methylphenyl)methoxy]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119785191
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 63005560
N-[3-[(3-methylphenyl)methoxy]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119323699
N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
CID 119885879
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
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-(3-methylbutoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306015
N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
CID 86997534
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide (CID 119785210) is N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide is Cc1ccccc1COc1cccc(NC(=O)C2CCNC2)c1.
What is the InChIKey of N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is XGDGQZKTPIWULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-5-2-3-6-16(14)13-23-18-8-4-7-17(11-18)21-19(22)15-9-10-20-12-15/h2-8,11,15,20H,9-10,12-13H2,1H3,(H,21,22).
What are the key properties of N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide?
N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylphenyl)methoxy]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119785210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).