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

C23H29N3O3 — CID 54841009

IUPACN-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCCCCOc1ccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-3-15-29-21-11-9-19(10-12-21)25-22(27)17-24-20-8-6-7-18(16-20)23(28)26-13-4-5-14-26/h6-12,16,24H,2-5,13-15,17H2,1H3,(H,25,27)
InChIKeyFCOVKZRZSMZKAR-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.15
Rot. Bonds9

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

N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54841009) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54841009
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCCCCOc1ccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C23H29N3O3/c1-2-3-15-29-21-11-9-19(10-12-21)25-22(27)17-24-20-8-6-7-18(16-20)23(28)26-13-4-5-14-26/h6-12,16,24H,2-5,13-15,17H2,1H3,(H,25,27)
InChIKeyFCOVKZRZSMZKAR-UHFFFAOYSA-N
XLogP4.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hexoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843402
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821096
N-[4-(azepane-1-carbonyl)phenyl]-2-(3-hexoxyanilino)acetamide
CID 54823217
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841091
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822838
N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54820582
2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54825491
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825406
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54822737
N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54823006

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54841009) is N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is CCCCOc1ccc(NC(=O)CNc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is FCOVKZRZSMZKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-3-15-29-21-11-9-19(10-12-21)25-22(27)17-24-20-8-6-7-18(16-20)23(28)26-13-4-5-14-26/h6-12,16,24H,2-5,13-15,17H2,1H3,(H,25,27).
What are the key properties of N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 395.50 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54841009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).