2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide

C17H21N3O — CID 79099731

IUPAC2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2ccc(C(N)C3CC3)c2)c1
InChIInChI=1S/C17H21N3O/c1-12-3-2-4-15(9-12)19-16(21)11-20-8-7-14(10-20)17(18)13-5-6-13/h2-4,7-10,13,17H,5-6,11,18H2,1H3,(H,19,21)
InChIKeyRUZMGJZFKASQNR-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.85
Rot. Bonds5

About 2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide

2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 79099731) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID79099731
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2ccc(C(N)C3CC3)c2)c1
InChIInChI=1S/C17H21N3O/c1-12-3-2-4-15(9-12)19-16(21)11-20-8-7-14(10-20)17(18)13-5-6-13/h2-4,7-10,13,17H,5-6,11,18H2,1H3,(H,19,21)
InChIKeyRUZMGJZFKASQNR-UHFFFAOYSA-N
XLogP2.85
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetamide
CID 79090031
2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79107992
2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79109983
N-(3-methylphenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
CID 79108596
2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(cyanomethyl)acetamide
CID 79104425
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide
CID 79108893
2-(1-cyclopropylethylamino)-N-(3-methylphenyl)acetamide
CID 43401776
N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099131
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-(3-methylphenyl)acetamide
CID 98232283
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 102784771
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
CID 79108257

Frequently Asked Questions

What is the IUPAC name of 2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide (CID 79099731) is 2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2ccc(C(N)C3CC3)c2)c1.
What is the InChIKey of 2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is RUZMGJZFKASQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-3-2-4-15(9-12)19-16(21)11-20-8-7-14(10-20)17(18)13-5-6-13/h2-4,7-10,13,17H,5-6,11,18H2,1H3,(H,19,21).
What are the key properties of 2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide?
2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 79099731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).