N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide

C17H25N3O2 — CID 54841093

IUPACN-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCCC(C)NC(=O)CNc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-3-13(2)19-16(21)12-18-15-8-6-7-14(11-15)17(22)20-9-4-5-10-20/h6-8,11,13,18H,3-5,9-10,12H2,1-2H3,(H,19,21)
InChIKeyLZBNAAFELPPJGW-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.25
Rot. Bonds6

About N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide

N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54841093) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54841093
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCCC(C)NC(=O)CNc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C17H25N3O2/c1-3-13(2)19-16(21)12-18-15-8-6-7-14(11-15)17(22)20-9-4-5-10-20/h6-8,11,13,18H,3-5,9-10,12H2,1-2H3,(H,19,21)
InChIKeyLZBNAAFELPPJGW-UHFFFAOYSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54840957
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide
CID 54841739
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide
CID 32897161
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470
2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843283
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide
CID 54841489

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54841093) is N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is CCC(C)NC(=O)CNc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is LZBNAAFELPPJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-13(2)19-16(21)12-18-15-8-6-7-14(11-15)17(22)20-9-4-5-10-20/h6-8,11,13,18H,3-5,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54841093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).