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

C22H27N3O3 — CID 54834060

IUPACN-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCC(C)Oc1ccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(2)28-20-11-9-19(10-12-20)24-21(26)15-23-18-7-5-17(6-8-18)22(27)25-13-3-4-14-25/h5-12,16,23H,3-4,13-15H2,1-2H3,(H,24,26)
InChIKeyIDSLSHORUIIBOX-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.76
Rot. Bonds7

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

N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54834060) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54834060
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCC(C)Oc1ccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(2)28-20-11-9-19(10-12-20)24-21(26)15-23-18-7-5-17(6-8-18)22(27)25-13-3-4-14-25/h5-12,16,23H,3-4,13-15H2,1-2H3,(H,24,26)
InChIKeyIDSLSHORUIIBOX-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-(4-butan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54830331
N-[4-(piperidine-1-carbonyl)phenyl]-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845235
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
2-(2-propan-2-yloxyanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54831212
N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834093
N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54823006
N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834127
N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834026
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
2-(4-chloroanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54810281
N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54834060) is N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is CC(C)Oc1ccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is IDSLSHORUIIBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)28-20-11-9-19(10-12-20)24-21(26)15-23-18-7-5-17(6-8-18)22(27)25-13-3-4-14-25/h5-12,16,23H,3-4,13-15H2,1-2H3,(H,24,26).
What are the key properties of N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(4-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-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54834060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).