N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide

C15H21N3O2 — CID 81493231

IUPACN-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
SMILESCNC1CCN(CC(=O)Nc2cccc(C(C)=O)c2)C1
InChIInChI=1S/C15H21N3O2/c1-11(19)12-4-3-5-13(8-12)17-15(20)10-18-7-6-14(9-18)16-2/h3-5,8,14,16H,6-7,9-10H2,1-2H3,(H,17,20)
InChIKeyJFDFMXUFAXXBMH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.12
Rot. Bonds5

About N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide

N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide (PubChem CID 81493231) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
PubChem CID81493231
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
SMILESCNC1CCN(CC(=O)Nc2cccc(C(C)=O)c2)C1
InChIInChI=1S/C15H21N3O2/c1-11(19)12-4-3-5-13(8-12)17-15(20)10-18-7-6-14(9-18)16-2/h3-5,8,14,16H,6-7,9-10H2,1-2H3,(H,17,20)
InChIKeyJFDFMXUFAXXBMH-UHFFFAOYSA-N
XLogP1.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 52689774
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 60546387
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 22199681
3-[[2-(3-acetamidopiperidin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 87017774
N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 22448041

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide (CID 81493231) is N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide is CNC1CCN(CC(=O)Nc2cccc(C(C)=O)c2)C1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide?
The InChIKey is JFDFMXUFAXXBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(19)12-4-3-5-13(8-12)17-15(20)10-18-7-6-14(9-18)16-2/h3-5,8,14,16H,6-7,9-10H2,1-2H3,(H,17,20).
What are the key properties of N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 81493231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).