N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide

C19H26N2O3 — CID 86924418

IUPACN-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(OCC(=O)N2CCCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C19H26N2O3/c1-13(2)14-5-9-16(10-6-14)24-12-18(22)21-11-3-4-17(21)19(23)20-15-7-8-15/h5-6,9-10,13,15,17H,3-4,7-8,11-12H2,1-2H3,(H,20,23)
InChIKeyRSGXNIKVHABUAG-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.46
Rot. Bonds6

About N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide (PubChem CID 86924418) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide
PubChem CID86924418
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc(OCC(=O)N2CCCC2C(=O)NC2CC2)cc1
InChIInChI=1S/C19H26N2O3/c1-13(2)14-5-9-16(10-6-14)24-12-18(22)21-11-3-4-17(21)19(23)20-15-7-8-15/h5-6,9-10,13,15,17H,3-4,7-8,11-12H2,1-2H3,(H,20,23)
InChIKeyRSGXNIKVHABUAG-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]pyrrolidine-2-carboxamide
CID 86924391
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide
CID 61106759
(2R)-N-cyclopropyl-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 94061711
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
(2S)-N-[(1S)-2-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide
CID 162739427
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 46636703
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90564162
N-(cyclohexylcarbamoyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7707104
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 119380301
N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 136523602
(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922418

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide (CID 86924418) is N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide is CC(C)c1ccc(OCC(=O)N2CCCC2C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is RSGXNIKVHABUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(2)14-5-9-16(10-6-14)24-12-18(22)21-11-3-4-17(21)19(23)20-15-7-8-15/h5-6,9-10,13,15,17H,3-4,7-8,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86924418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).