2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide

C22H27N3O3 — CID 11717870

IUPAC2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide
SMILESCN1CCCC1CCNC(=O)c1cccc(COc2ccccc2C(N)=O)c1
InChIInChI=1S/C22H27N3O3/c1-25-13-5-8-18(25)11-12-24-22(27)17-7-4-6-16(14-17)15-28-20-10-3-2-9-19(20)21(23)26/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3,(H2,23,26)(H,24,27)
InChIKeyFEZIDRZPJNSDDL-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.58
Rot. Bonds8

About 2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide

2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide (PubChem CID 11717870) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide
PubChem CID11717870
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide
SMILESCN1CCCC1CCNC(=O)c1cccc(COc2ccccc2C(N)=O)c1
InChIInChI=1S/C22H27N3O3/c1-25-13-5-8-18(25)11-12-24-22(27)17-7-4-6-16(14-17)15-28-20-10-3-2-9-19(20)21(23)26/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3,(H2,23,26)(H,24,27)
InChIKeyFEZIDRZPJNSDDL-UHFFFAOYSA-N
XLogP2.58
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide
CID 124573502
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid
CID 119167810
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid
CID 154750488
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70845742
2-[[3-(4-methylpentan-2-ylcarbamoyl)phenyl]methoxy]benzamide
CID 11696081
2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide
CID 167933828
2-[[3-[(2-carbamoylphenoxy)methyl]benzoyl]-cyclopropylamino]acetic acid
CID 119195397
2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
CID 124693496
2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide
CID 48500164

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide?
The IUPAC name of 2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide (CID 11717870) is 2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide?
The canonical SMILES for 2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide is CN1CCCC1CCNC(=O)c1cccc(COc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide?
The InChIKey is FEZIDRZPJNSDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-25-13-5-8-18(25)11-12-24-22(27)17-7-4-6-16(14-17)15-28-20-10-3-2-9-19(20)21(23)26/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of 2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide?
2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide is sourced from PubChem (CID 11717870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).