N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide

C27H29N3O3 — CID 54841151

IUPACN-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(=O)N2CCCC2)c1)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C27H29N3O3/c31-26(20-28-23-11-6-10-22(18-23)27(32)30-15-4-5-16-30)29-24-12-7-13-25(19-24)33-17-14-21-8-2-1-3-9-21/h1-3,6-13,18-19,28H,4-5,14-17,20H2,(H,29,31)
InChIKeyWEWMABVONBZQIW-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.59
Rot. Bonds9

About N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide

N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 54841151) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID54841151
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(=O)N2CCCC2)c1)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C27H29N3O3/c31-26(20-28-23-11-6-10-22(18-23)27(32)30-15-4-5-16-30)29-24-12-7-13-25(19-24)33-17-14-21-8-2-1-3-9-21/h1-3,6-13,18-19,28H,4-5,14-17,20H2,(H,29,31)
InChIKeyWEWMABVONBZQIW-UHFFFAOYSA-N
XLogP4.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841655
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825406
2-[4-(3-phenylpropoxy)anilino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54825491
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822838
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823709
N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54823197
N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54839558
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826640
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843310
N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54844265
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54841067

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 54841151) is N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is O=C(CNc1cccc(C(=O)N2CCCC2)c1)Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is WEWMABVONBZQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c31-26(20-28-23-11-6-10-22(18-23)27(32)30-15-4-5-16-30)29-24-12-7-13-25(19-24)33-17-14-21-8-2-1-3-9-21/h1-3,6-13,18-19,28H,4-5,14-17,20H2,(H,29,31).
What are the key properties of N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 443.55 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54841151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).