N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide

C22H27N3O2 — CID 54811806

IUPACN-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide
SMILESCc1cc(C)c(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-15-11-16(2)21(17(3)12-15)23-14-20(26)24-19-8-6-7-18(13-19)22(27)25-9-4-5-10-25/h6-8,11-13,23H,4-5,9-10,14H2,1-3H3,(H,24,26)
InChIKeyWINKWAMVOKSYNS-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.90
Rot. Bonds5

About N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide

N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide (PubChem CID 54811806) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide
PubChem CID54811806
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide
SMILESCc1cc(C)c(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)c(C)c1
InChIInChI=1S/C22H27N3O2/c1-15-11-16(2)21(17(3)12-15)23-14-20(26)24-19-8-6-7-18(13-19)22(27)25-9-4-5-10-25/h6-8,11-13,23H,4-5,9-10,14H2,1-3H3,(H,24,26)
InChIKeyWINKWAMVOKSYNS-UHFFFAOYSA-N
XLogP3.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide
CID 54841489
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
2-(methylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119740126
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54835732
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide?
The IUPAC name of N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide (CID 54811806) is N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide.
What is the SMILES notation for N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide?
The canonical SMILES for N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide is Cc1cc(C)c(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)c(C)c1.
What is the InChIKey of N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide?
The InChIKey is WINKWAMVOKSYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-11-16(2)21(17(3)12-15)23-14-20(26)24-19-8-6-7-18(13-19)22(27)25-9-4-5-10-25/h6-8,11-13,23H,4-5,9-10,14H2,1-3H3,(H,24,26).
What are the key properties of N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide?
N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidine-1-carbonyl)phenyl]-2-(2,4,6-trimethylanilino)acetamide is sourced from PubChem (CID 54811806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).