N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide

C21H27N5O4 — CID 167779274

IUPACN-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide
SMILESCOC(COc1ccccc1)C(=O)N(C)C1CCN(C(=O)c2n[nH]nc2C2CC2)C1
InChIInChI=1S/C21H27N5O4/c1-25(20(27)17(29-2)13-30-16-6-4-3-5-7-16)15-10-11-26(12-15)21(28)19-18(14-8-9-14)22-24-23-19/h3-7,14-15,17H,8-13H2,1-2H3,(H,22,23,24)
InChIKeyOZDIQNIBLGEBGX-UHFFFAOYSA-N
MW413.48 g/mol
LogP1.45
Rot. Bonds8

About N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide

N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide (PubChem CID 167779274) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide
PubChem CID167779274
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC NameN-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide
SMILESCOC(COc1ccccc1)C(=O)N(C)C1CCN(C(=O)c2n[nH]nc2C2CC2)C1
InChIInChI=1S/C21H27N5O4/c1-25(20(27)17(29-2)13-30-16-6-4-3-5-7-16)15-10-11-26(12-15)21(28)19-18(14-8-9-14)22-24-23-19/h3-7,14-15,17H,8-13H2,1-2H3,(H,22,23,24)
InChIKeyOZDIQNIBLGEBGX-UHFFFAOYSA-N
XLogP1.45
TPSA100.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-methyl-N-[1-(3-phenyl-1H-pyrrole-2-carbonyl)pyrrolidin-3-yl]propanamide
CID 167977973
1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone
CID 91907824
tert-butyl (3S)-3-[methyl-[2-(2-phenoxyethoxy)acetyl]amino]pyrrolidine-1-carboxylate
CID 95783977
N-[1-[5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 56745555
[3-(N-methylanilino)pyrrolidin-1-yl]-(3-methylpyrazin-2-yl)methanone
CID 167886981
1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110441101
(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 71979487
1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenoxyethanone
CID 91918267
N-[2-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 75448434
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
tert-butyl N-(1-benzoylpyrrolidin-3-yl)-N-methylcarbamate
CID 71862110
[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 138993124

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide?
The IUPAC name of N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide (CID 167779274) is N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide.
What is the SMILES notation for N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide?
The canonical SMILES for N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide is COC(COc1ccccc1)C(=O)N(C)C1CCN(C(=O)c2n[nH]nc2C2CC2)C1.
What is the InChIKey of N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide?
The InChIKey is OZDIQNIBLGEBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-25(20(27)17(29-2)13-30-16-6-4-3-5-7-16)15-10-11-26(12-15)21(28)19-18(14-8-9-14)22-24-23-19/h3-7,14-15,17H,8-13H2,1-2H3,(H,22,23,24).
What are the key properties of N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide?
N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide has a molecular weight of 413.48 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclopropyl-2H-triazole-4-carbonyl)pyrrolidin-3-yl]-2-methoxy-N-methyl-3-phenoxypropanamide is sourced from PubChem (CID 167779274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).