N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide

C18H24N2O3 — CID 50846453

IUPACN-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide
SMILESCCC(=O)N1CCCC1COc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H24N2O3/c1-2-17(21)20-11-3-4-15(20)12-23-16-9-5-13(6-10-16)18(22)19-14-7-8-14/h5-6,9-10,14-15H,2-4,7-8,11-12H2,1H3,(H,19,22)
InChIKeyNSLSXJVPWBVZMR-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.36
Rot. Bonds6

About N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide

N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide (PubChem CID 50846453) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide
PubChem CID50846453
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide
SMILESCCC(=O)N1CCCC1COc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H24N2O3/c1-2-17(21)20-11-3-4-15(20)12-23-16-9-5-13(6-10-16)18(22)19-14-7-8-14/h5-6,9-10,14-15H,2-4,7-8,11-12H2,1H3,(H,19,22)
InChIKeyNSLSXJVPWBVZMR-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide
CID 50846264
N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 92900504
N-cyclopropyl-4-[[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 50846517
4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide
CID 50846259
1-[2-(phenoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 142036385
N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339701
N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
CID 163339434
N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
CID 163339566
3-acetamido-4-[[(2S)-1-propanoylpyrrolidin-2-yl]methoxy]benzoic acid
CID 71207242
N-cyclohexyl-4-propoxybenzamide
CID 4938429
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide (CID 50846453) is N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide is CCC(=O)N1CCCC1COc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide?
The InChIKey is NSLSXJVPWBVZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-17(21)20-11-3-4-15(20)12-23-16-9-5-13(6-10-16)18(22)19-14-7-8-14/h5-6,9-10,14-15H,2-4,7-8,11-12H2,1H3,(H,19,22).
What are the key properties of N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide?
N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide has a molecular weight of 316.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide is sourced from PubChem (CID 50846453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).