3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide

C23H23N3O3 — CID 17432375

IUPAC3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)COc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H23N3O3/c24-23(28)18-8-10-21(26-11-3-4-12-26)20(14-18)25-22(27)15-29-19-9-7-16-5-1-2-6-17(16)13-19/h1-2,5-10,13-14H,3-4,11-12,15H2,(H2,24,28)(H,25,27)
InChIKeyPFRXVZRHFAMKQJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.56
Rot. Bonds6

About 3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide

3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide (PubChem CID 17432375) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide
PubChem CID17432375
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)COc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H23N3O3/c24-23(28)18-8-10-21(26-11-3-4-12-26)20(14-18)25-22(27)15-29-19-9-7-16-5-1-2-6-17(16)13-19/h1-2,5-10,13-14H,3-4,11-12,15H2,(H2,24,28)(H,25,27)
InChIKeyPFRXVZRHFAMKQJ-UHFFFAOYSA-N
XLogP3.56
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41269421
2-naphthalen-2-yloxy-N-(2-piperidin-1-ylphenyl)acetamide
CID 2006723
3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55553639
3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 75413856
3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide
CID 24675926
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 21212389
methyl 3-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 46515110
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922496
N-(5-fluoro-2-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 113092602
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide
CID 17467965
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2714751
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 51121498

Frequently Asked Questions

What is the IUPAC name of 3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of 3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide (CID 17432375) is 3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide is NC(=O)c1ccc(N2CCCC2)c(NC(=O)COc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is PFRXVZRHFAMKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c24-23(28)18-8-10-21(26-11-3-4-12-26)20(14-18)25-22(27)15-29-19-9-7-16-5-1-2-6-17(16)13-19/h1-2,5-10,13-14H,3-4,11-12,15H2,(H2,24,28)(H,25,27).
What are the key properties of 3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide?
3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 17432375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).