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

C21H25N3O2 — CID 54840957

IUPACN-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCC(NC(=O)CNc1cccc(C(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(17-8-3-2-4-9-17)23-20(25)15-22-19-11-7-10-18(14-19)21(26)24-12-5-6-13-24/h2-4,7-11,14,16,22H,5-6,12-13,15H2,1H3,(H,23,25)
InChIKeyWXRMHHJCMVQRIE-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.21
Rot. Bonds6

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

N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54840957) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54840957
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCC(NC(=O)CNc1cccc(C(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(17-8-3-2-4-9-17)23-20(25)15-22-19-11-7-10-18(14-19)21(26)24-12-5-6-13-24/h2-4,7-11,14,16,22H,5-6,12-13,15H2,1H3,(H,23,25)
InChIKeyWXRMHHJCMVQRIE-UHFFFAOYSA-N
XLogP3.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843624
2-[3-(azepane-1-carbonyl)anilino]-N-(1-phenylpropyl)acetamide
CID 54841739
N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841093
N-[3-(azepane-1-carbonyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 54815077
3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54833812
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843470
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54840957) is N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is CC(NC(=O)CNc1cccc(C(=O)N2CCCC2)c1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is WXRMHHJCMVQRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(17-8-3-2-4-9-17)23-20(25)15-22-19-11-7-10-18(14-19)21(26)24-12-5-6-13-24/h2-4,7-11,14,16,22H,5-6,12-13,15H2,1H3,(H,23,25).
What are the key properties of N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54840957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).