4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide

C32H33N3O3 — CID 11591542

IUPAC4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(CCc1ccccc1)Nc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C32H33N3O3/c36-31(17-12-24-8-2-1-3-9-24)34-29-23-27(32(37)33-18-21-35-19-6-7-20-35)14-16-30(29)38-28-15-13-25-10-4-5-11-26(25)22-28/h1-5,8-11,13-16,22-23H,6-7,12,17-21H2,(H,33,37)(H,34,36)
InChIKeyJLXHGFWAMLYKBM-UHFFFAOYSA-N
MW507.63 g/mol
LogP6.03
Rot. Bonds10

About 4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide

4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 11591542) has the molecular formula C32H33N3O3 and a molecular weight of 507.63 g/mol. Its IUPAC name is 4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID11591542
Molecular FormulaC32H33N3O3
Molecular Weight507.63 g/mol
Exact Mass507.25
IUPAC Name4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(CCc1ccccc1)Nc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc2ccccc2c1
InChIInChI=1S/C32H33N3O3/c36-31(17-12-24-8-2-1-3-9-24)34-29-23-27(32(37)33-18-21-35-19-6-7-20-35)14-16-30(29)38-28-15-13-25-10-4-5-11-26(25)22-28/h1-5,8-11,13-16,22-23H,6-7,12,17-21H2,(H,33,37)(H,34,36)
InChIKeyJLXHGFWAMLYKBM-UHFFFAOYSA-N
XLogP6.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-(4-Fluoro-3-methylphenoxy)-5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)phenyl)-3-(3-fluorophenyl)urea
CID 11648912
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6-(3-(4-(Naphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068905
6-(3-(4-(7-Fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068906
6-(3-(4-(8-Fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068907
6-(3-(4-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25068963
6-(3-(4-(6,7-Difluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25069015
6-(3-(4-(Chroman-8-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25069016
6-(4-(4-(Chroman-8-yl)piperazin-1-yl)butoxy)isoindolin-1-one
CID 25069181
5-Fluoro-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25069239
5-Fluoro-6-(3-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25069240
5-Fluoro-6-(3-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
CID 25069241

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 11591542) is 4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(CCc1ccccc1)Nc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is JLXHGFWAMLYKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O3/c36-31(17-12-24-8-2-1-3-9-24)34-29-23-27(32(37)33-18-21-35-19-6-7-20-35)14-16-30(29)38-28-15-13-25-10-4-5-11-26(25)22-28/h1-5,8-11,13-16,22-23H,6-7,12,17-21H2,(H,33,37)(H,34,36).
What are the key properties of 4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 507.63 g/mol, XLogP of 6.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxy-3-(3-phenylpropanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 11591542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).