N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C18H22N2O2 — CID 90495843

IUPACN-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)N(Cc1cccn1C)C1CC1
InChIInChI=1S/C18H22N2O2/c1-14-6-3-4-8-17(14)22-13-18(21)20(15-9-10-15)12-16-7-5-11-19(16)2/h3-8,11,15H,9-10,12-13H2,1-2H3
InChIKeySKAIUHAZLMHLNV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.90
Rot. Bonds6

About N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 90495843) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
PubChem CID90495843
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)N(Cc1cccn1C)C1CC1
InChIInChI=1S/C18H22N2O2/c1-14-6-3-4-8-17(14)22-13-18(21)20(15-9-10-15)12-16-7-5-11-19(16)2/h3-8,11,15H,9-10,12-13H2,1-2H3
InChIKeySKAIUHAZLMHLNV-UHFFFAOYSA-N
XLogP2.90
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 90495847
ethyl 2-[cyclopropyl-[2-(2-methylphenoxy)acetyl]amino]acetate
CID 61410246
N-cyclopropyl-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 42759797
N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 811191
N-cyclopropyl-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718307
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]octanamide
CID 4041529
N-cyclopropyl-2-[(2-methylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3887367
[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-propylazanium
CID 7261327
N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2,2-diphenylacetamide
CID 809989
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 42767843
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3902809

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 90495843) is N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is Cc1ccccc1OCC(=O)N(Cc1cccn1C)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
The InChIKey is SKAIUHAZLMHLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-6-3-4-8-17(14)22-13-18(21)20(15-9-10-15)12-16-7-5-11-19(16)2/h3-8,11,15H,9-10,12-13H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?
N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 90495843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).