N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide

C23H29N3O3 — CID 54834127

IUPACN-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCCC(C)Oc1cccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C23H29N3O3/c1-3-17(2)29-21-8-6-7-20(15-21)25-22(27)16-24-19-11-9-18(10-12-19)23(28)26-13-4-5-14-26/h6-12,15,17,24H,3-5,13-14,16H2,1-2H3,(H,25,27)
InChIKeyQLWGJHHOAFZYOS-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.15
Rot. Bonds8

About N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide

N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54834127) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54834127
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCCC(C)Oc1cccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C23H29N3O3/c1-3-17(2)29-21-8-6-7-20(15-21)25-22(27)16-24-19-11-9-18(10-12-19)23(28)26-13-4-5-14-26/h6-12,15,17,24H,3-5,13-14,16H2,1-2H3,(H,25,27)
InChIKeyQLWGJHHOAFZYOS-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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
methyl 4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]benzoate
CID 54817038
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
N-[3-(2-ethoxyethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841594
N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834226
N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834060
4-[[2-(3-butan-2-yloxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54829387
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
CID 62328413
N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839148
N-(3-butan-2-yloxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820106
N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54834127) is N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is CCC(C)Oc1cccc(NC(=O)CNc2ccc(C(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is QLWGJHHOAFZYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-17(2)29-21-8-6-7-20(15-21)25-22(27)16-24-19-11-9-18(10-12-19)23(28)26-13-4-5-14-26/h6-12,15,17,24H,3-5,13-14,16H2,1-2H3,(H,25,27).
What are the key properties of N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 395.50 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54834127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).