3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide

C21H24N2O3 — CID 32854703

IUPAC3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
SMILESO=C(CCOc1ccccc1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H24N2O3/c24-20(12-15-26-19-6-2-1-3-7-19)22-16-17-8-10-18(11-9-17)21(25)23-13-4-5-14-23/h1-3,6-11H,4-5,12-16H2,(H,22,24)
InChIKeyDKRNSESAWQVAJD-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.01
Rot. Bonds7

About 3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide

3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide (PubChem CID 32854703) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
PubChem CID32854703
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
SMILESO=C(CCOc1ccccc1)NCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H24N2O3/c24-20(12-15-26-19-6-2-1-3-7-19)22-16-17-8-10-18(11-9-17)21(25)23-13-4-5-14-23/h1-3,6-11H,4-5,12-16H2,(H,22,24)
InChIKeyDKRNSESAWQVAJD-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
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1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
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1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798374
4-[(4-phenoxybutanoylamino)methyl]benzamide
CID 51152240
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
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3-amino-3-phenyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
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N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
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2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
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CID 974838

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of 3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide (CID 32854703) is 3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide is O=C(CCOc1ccccc1)NCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The InChIKey is DKRNSESAWQVAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(12-15-26-19-6-2-1-3-7-19)22-16-17-8-10-18(11-9-17)21(25)23-13-4-5-14-23/h1-3,6-11H,4-5,12-16H2,(H,22,24).
What are the key properties of 3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 32854703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).