N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride

C20H25ClN2O3 — CID 119754328

IUPACN-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(COCc2cccc(NC(=O)C3CCNC3)c2)cc1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-24-19-7-5-15(6-8-19)13-25-14-16-3-2-4-18(11-16)22-20(23)17-9-10-21-12-17;/h2-8,11,17,21H,9-10,12-14H2,1H3,(H,22,23);1H
InChIKeyMJGOHVMRLQNQMJ-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.38
Rot. Bonds7

About N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119754328) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119754328
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(COCc2cccc(NC(=O)C3CCNC3)c2)cc1.Cl
InChIInChI=1S/C20H24N2O3.ClH/c1-24-19-7-5-15(6-8-19)13-25-14-16-3-2-4-18(11-16)22-20(23)17-9-10-21-12-17;/h2-8,11,17,21H,9-10,12-14H2,1H3,(H,22,23);1H
InChIKeyMJGOHVMRLQNQMJ-UHFFFAOYSA-N
XLogP3.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119754032
N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119794538
N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119753972
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199
N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298
methyl 2-[[3-(pyrrolidine-3-carbonylamino)phenyl]methylsulfanyl]acetate
CID 119775567
4-(methoxymethyl)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]piperidine-4-carboxamide
CID 120626262
N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119790066
(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide
CID 124687466
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
(3R)-N-(3-hydroxyphenyl)pyrrolidine-3-carboxamide
CID 94916708

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119754328) is N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride is COc1ccc(COCc2cccc(NC(=O)C3CCNC3)c2)cc1.Cl.
What is the InChIKey of N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is MJGOHVMRLQNQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c1-24-19-7-5-15(6-8-19)13-25-14-16-3-2-4-18(11-16)22-20(23)17-9-10-21-12-17;/h2-8,11,17,21H,9-10,12-14H2,1H3,(H,22,23);1H.
What are the key properties of N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119754328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).