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

C23H29N3O3 — CID 54823197

IUPAC2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(C)COc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C23H29N3O3/c1-17(2)16-29-21-10-6-8-19(14-21)24-15-22(27)25-20-9-5-7-18(13-20)23(28)26-11-3-4-12-26/h5-10,13-14,17,24H,3-4,11-12,15-16H2,1-2H3,(H,25,27)
InChIKeyPIKOCQBLNSGELF-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.01
Rot. Bonds8

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

2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 54823197) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID54823197
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(C)COc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C23H29N3O3/c1-17(2)16-29-21-10-6-8-19(14-21)24-15-22(27)25-20-9-5-7-18(13-20)23(28)26-11-3-4-12-26/h5-10,13-14,17,24H,3-4,11-12,15-16H2,1-2H3,(H,25,27)
InChIKeyPIKOCQBLNSGELF-UHFFFAOYSA-N
XLogP4.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843310
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168
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
N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841151
N-(3,5-dimethoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085577
2-methyl-N-[3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54843283
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 54823197) is 2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is CC(C)COc1cccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of 2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is PIKOCQBLNSGELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17(2)16-29-21-10-6-8-19(14-21)24-15-22(27)25-20-9-5-7-18(13-20)23(28)26-11-3-4-12-26/h5-10,13-14,17,24H,3-4,11-12,15-16H2,1-2H3,(H,25,27).
What are the key properties of 2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54823197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).