N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide

C17H26N2O2 — CID 63144041

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cccc(COC)c2)CCNC1
InChIInChI=1S/C17H26N2O2/c1-3-7-17(8-9-18-13-17)16(20)19-11-14-5-4-6-15(10-14)12-21-2/h4-6,10,18H,3,7-9,11-13H2,1-2H3,(H,19,20)
InChIKeyNUAMEXGBUIYHBM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds7

About N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide

N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 63144041) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID63144041
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cccc(COC)c2)CCNC1
InChIInChI=1S/C17H26N2O2/c1-3-7-17(8-9-18-13-17)16(20)19-11-14-5-4-6-15(10-14)12-21-2/h4-6,10,18H,3,7-9,11-13H2,1-2H3,(H,19,20)
InChIKeyNUAMEXGBUIYHBM-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141619
N-[(3-cyanophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63140125
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-4-carboxamide
CID 63122588
N-[(3-methylphenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63128555
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127551
N-[(3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127726
1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 115437615
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide (CID 63144041) is N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCc2cccc(COC)c2)CCNC1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is NUAMEXGBUIYHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-7-17(8-9-18-13-17)16(20)19-11-14-5-4-6-15(10-14)12-21-2/h4-6,10,18H,3,7-9,11-13H2,1-2H3,(H,19,20).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide?
N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63144041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).