4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide

C21H26N2O3 — CID 166253184

IUPAC4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide
SMILESCOc1cc(CO)ccc1C(=O)NC(C)c1cccc(N2CCCC2)c1
InChIInChI=1S/C21H26N2O3/c1-15(17-6-5-7-18(13-17)23-10-3-4-11-23)22-21(25)19-9-8-16(14-24)12-20(19)26-2/h5-9,12-13,15,24H,3-4,10-11,14H2,1-2H3,(H,22,25)
InChIKeyFWMKLGGDEOBRNS-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.28
Rot. Bonds6

About 4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide

4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide (PubChem CID 166253184) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide
PubChem CID166253184
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide
SMILESCOc1cc(CO)ccc1C(=O)NC(C)c1cccc(N2CCCC2)c1
InChIInChI=1S/C21H26N2O3/c1-15(17-6-5-7-18(13-17)23-10-3-4-11-23)22-21(25)19-9-8-16(14-24)12-20(19)26-2/h5-9,12-13,15,24H,3-4,10-11,14H2,1-2H3,(H,22,25)
InChIKeyFWMKLGGDEOBRNS-UHFFFAOYSA-N
XLogP3.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride
CID 119947462
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166234095
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 71856468
5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 71972332
N-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 97053477
1-[(4-cyanophenyl)methyl]-3-[(1R)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050726
1-[(4-cyanophenyl)methyl]-3-[(1S)-1-(3-pyrrolidin-1-ylphenyl)ethyl]urea
CID 97050725
4-amino-5-chloro-2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]benzamide
CID 119756019
4-bromo-N-[1-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 78987865
4-bromo-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxybenzamide
CID 78924714
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
[3-methoxy-4-[1-(3-methoxyphenyl)ethylcarbamoyl]phenyl]boronic acid
CID 123598238

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide (CID 166253184) is 4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide is COc1cc(CO)ccc1C(=O)NC(C)c1cccc(N2CCCC2)c1.
What is the InChIKey of 4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide?
The InChIKey is FWMKLGGDEOBRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(17-6-5-7-18(13-17)23-10-3-4-11-23)22-21(25)19-9-8-16(14-24)12-20(19)26-2/h5-9,12-13,15,24H,3-4,10-11,14H2,1-2H3,(H,22,25).
What are the key properties of 4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide?
4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methoxy-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 166253184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).