N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide

C27H29N3O4 — CID 54834026

IUPACN-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCC2)cc1)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C27H29N3O4/c31-26(20-28-22-10-8-21(9-11-22)27(32)30-16-4-5-17-30)29-23-12-14-25(15-13-23)34-19-18-33-24-6-2-1-3-7-24/h1-3,6-15,28H,4-5,16-20H2,(H,29,31)
InChIKeyCNSZFRFZVJXHIV-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.43
Rot. Bonds10

About N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide

N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54834026) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54834026
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(=O)N2CCCC2)cc1)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C27H29N3O4/c31-26(20-28-22-10-8-21(9-11-22)27(32)30-16-4-5-17-30)29-23-12-14-25(15-13-23)34-19-18-33-24-6-2-1-3-7-24/h1-3,6-15,28H,4-5,16-20H2,(H,29,31)
InChIKeyCNSZFRFZVJXHIV-UHFFFAOYSA-N
XLogP4.43
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylmethoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833960
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822838
N-[4-(azepane-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
CID 54823006
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
N-(4-hexoxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54833896
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841655
2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54832122
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54830898
N-(4-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834060
N-[3-(2-ethoxyethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841594

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54834026) is N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is O=C(CNc1ccc(C(=O)N2CCCC2)cc1)Nc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is CNSZFRFZVJXHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c31-26(20-28-22-10-8-21(9-11-22)27(32)30-16-4-5-17-30)29-23-12-14-25(15-13-23)34-19-18-33-24-6-2-1-3-7-24/h1-3,6-15,28H,4-5,16-20H2,(H,29,31).
What are the key properties of N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 459.55 g/mol, XLogP of 4.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenoxyethoxy)phenyl]-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54834026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).