N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide

C22H27N3O3 — CID 54834093

IUPACN-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(2)28-20-8-4-3-7-19(20)24-21(26)15-23-18-11-9-17(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)
InChIKeyMEOCQXRXLYIUQD-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.76
Rot. Bonds7

About N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide

N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54834093) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54834093
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCC(C)Oc1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(2)28-20-8-4-3-7-19(20)24-21(26)15-23-18-11-9-17(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)
InChIKeyMEOCQXRXLYIUQD-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

2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54831212
N-[2-(2-methylpropoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841714
2-[4-(azepane-1-carbonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 54835054
N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834060
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
2-[4-(azepane-1-carbonyl)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54834877
N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834057
N-ethyl-4-[[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54839172
2-(2-methoxyanilino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54817219
2-[4-(azepane-1-carbonyl)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54835286
N-naphthalen-1-yl-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54835242
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54834093) is N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is CC(C)Oc1ccccc1NC(=O)CNc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is MEOCQXRXLYIUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)28-20-8-4-3-7-19(20)24-21(26)15-23-18-11-9-17(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 N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]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 N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54834093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).