N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C15H23ClN2O2 — CID 119753972

IUPACN-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)OCc1cccc(NC(=O)C2CCNC2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(2)19-10-12-4-3-5-14(8-12)17-15(18)13-6-7-16-9-13;/h3-5,8,11,13,16H,6-7,9-10H2,1-2H3,(H,17,18);1H
InChIKeyMKJKGZKMEDJXPT-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.58
Rot. Bonds5

About N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119753972) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119753972
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)OCc1cccc(NC(=O)C2CCNC2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(2)19-10-12-4-3-5-14(8-12)17-15(18)13-6-7-16-9-13;/h3-5,8,11,13,16H,6-7,9-10H2,1-2H3,(H,17,18);1H
InChIKeyMKJKGZKMEDJXPT-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199
N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754032
N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754328
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
methyl 2-[[3-(pyrrolidine-3-carbonylamino)phenyl]methylsulfanyl]acetate
CID 119775567
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708
N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 63006855
N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119790066
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306626
N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119306269

Frequently Asked Questions

What is the IUPAC name of N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119753972) is N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is CC(C)OCc1cccc(NC(=O)C2CCNC2)c1.Cl.
What is the InChIKey of N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is MKJKGZKMEDJXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11(2)19-10-12-4-3-5-14(8-12)17-15(18)13-6-7-16-9-13;/h3-5,8,11,13,16H,6-7,9-10H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119753972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).