2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide

C22H27N3O3 — CID 54831212

IUPAC2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(C)Oc1ccccc1NCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(2)28-20-8-4-3-7-19(20)23-15-21(26)24-18-11-9-17(10-12-18)22(27)25-13-5-6-14-25/h3-4,7-12,16,23H,5-6,13-15H2,1-2H3,(H,24,26)
InChIKeyAQDYNKFTFIZTCR-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.76
Rot. Bonds7

About 2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 54831212) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID54831212
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCC(C)Oc1ccccc1NCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(2)28-20-8-4-3-7-19(20)23-15-21(26)24-18-11-9-17(10-12-18)22(27)25-13-5-6-14-25/h3-4,7-12,16,23H,5-6,13-15H2,1-2H3,(H,24,26)
InChIKeyAQDYNKFTFIZTCR-UHFFFAOYSA-N
XLogP3.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834093
2-(2-methoxyanilino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54817219
2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009287
N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834060
2-(2-prop-2-enoxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54824460
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-propan-2-yloxyanilino)acetamide
CID 54830960
N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841714
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 54835054
2-(4-butan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54830331

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 54831212) is 2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide is CC(C)Oc1ccccc1NCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is AQDYNKFTFIZTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)28-20-8-4-3-7-19(20)23-15-21(26)24-18-11-9-17(10-12-18)22(27)25-13-5-6-14-25/h3-4,7-12,16,23H,5-6,13-15H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54831212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).