N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C20H24N2O2 — CID 119286438

IUPACN-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(COCc2ccccc2)c1)C1CCCN1
InChIInChI=1S/C20H24N2O2/c23-20(19-10-5-11-21-19)22-13-17-8-4-9-18(12-17)15-24-14-16-6-2-1-3-7-16/h1-4,6-9,12,19,21H,5,10-11,13-15H2,(H,22,23)
InChIKeyKDPJKCCHMXAZPM-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.77
Rot. Bonds7

About N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide

N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119286438) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID119286438
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(COCc2ccccc2)c1)C1CCCN1
InChIInChI=1S/C20H24N2O2/c23-20(19-10-5-11-21-19)22-13-17-8-4-9-18(12-17)15-24-14-16-6-2-1-3-7-16/h1-4,6-9,12,19,21H,5,10-11,13-15H2,(H,22,23)
InChIKeyKDPJKCCHMXAZPM-UHFFFAOYSA-N
XLogP2.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119867361
(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
CID 130891385
methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325642
(2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 100647209
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
N'-benzylpyrrolidine-2-carbohydrazide
CID 130007921
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808

Frequently Asked Questions

What is the IUPAC name of N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 119286438) is N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cccc(COCc2ccccc2)c1)C1CCCN1.
What is the InChIKey of N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is KDPJKCCHMXAZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(19-10-5-11-21-19)22-13-17-8-4-9-18(12-17)15-24-14-16-6-2-1-3-7-16/h1-4,6-9,12,19,21H,5,10-11,13-15H2,(H,22,23).
What are the key properties of N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119286438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).