4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide

C18H26N2O3 — CID 50846264

IUPAC4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide
SMILESCCC(=O)N1CCCC1COc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-4-17(21)20-11-5-6-15(20)12-23-16-9-7-14(8-10-16)18(22)19-13(2)3/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,19,22)
InChIKeyOVPQJKVPABTQAL-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.60
Rot. Bonds6

About 4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide

4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide (PubChem CID 50846264) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide
PubChem CID50846264
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide
SMILESCCC(=O)N1CCCC1COc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-4-17(21)20-11-5-6-15(20)12-23-16-9-7-14(8-10-16)18(22)19-13(2)3/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,19,22)
InChIKeyOVPQJKVPABTQAL-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide
CID 50846453
4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900722
4-[[(2R)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900609
4-[[(2S)-1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900638
1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 142036385
4-[[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900636
4-[[(2S)-1-(2-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900710
4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900674
4-[[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 163339849
4-[[(2S)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900623
N-propan-2-yl-4-[[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339987
4-[[1-(3-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 50846553

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide (CID 50846264) is 4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide is CCC(=O)N1CCCC1COc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide?
The InChIKey is OVPQJKVPABTQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-17(21)20-11-5-6-15(20)12-23-16-9-7-14(8-10-16)18(22)19-13(2)3/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,19,22).
What are the key properties of 4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide?
4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide has a molecular weight of 318.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 50846264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).