(2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide

C36H41NO5 — CID 67580421

IUPAC(2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide
SMILESO=C(NCCCCCc1ccc2ccccc2c1)[C@H](OCCCCCc1ccc2ccccc2c1)[C@H]1OCCOC1=O
InChIInChI=1S/C36H41NO5/c38-35(37-21-9-1-3-11-27-17-19-29-13-5-7-15-31(29)25-27)33(34-36(39)42-24-23-41-34)40-22-10-2-4-12-28-18-20-30-14-6-8-16-32(30)26-28/h5-8,13-20,25-26,33-34H,1-4,9-12,21-24H2,(H,37,38)/t33-,34-/m1/s1
InChIKeyNIRCWZGUHHNLIS-KKLWWLSJSA-N
MW567.73 g/mol
LogP6.56
Rot. Bonds15

About (2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide

(2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide (PubChem CID 67580421) has the molecular formula C36H41NO5 and a molecular weight of 567.73 g/mol. Its IUPAC name is (2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide
PubChem CID67580421
Molecular FormulaC36H41NO5
Molecular Weight567.73 g/mol
Exact Mass567.30
IUPAC Name(2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide
SMILESO=C(NCCCCCc1ccc2ccccc2c1)[C@H](OCCCCCc1ccc2ccccc2c1)[C@H]1OCCOC1=O
InChIInChI=1S/C36H41NO5/c38-35(37-21-9-1-3-11-27-17-19-29-13-5-7-15-31(29)25-27)33(34-36(39)42-24-23-41-34)40-22-10-2-4-12-28-18-20-30-14-6-8-16-32(30)26-28/h5-8,13-20,25-26,33-34H,1-4,9-12,21-24H2,(H,37,38)/t33-,34-/m1/s1
InChIKeyNIRCWZGUHHNLIS-KKLWWLSJSA-N
XLogP6.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.73
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[5-(3,4-dimethylphenyl)pentoxy]-N-[2-(methanesulfonamido)-2-oxoethyl]-N-(5-naphthalen-2-ylpentyl)-2-[(4R)-5-oxo-1,3-dioxolan-4-yl]acetamide
CID 139889974
sodium (2R,3R)-3-(2-hydroxyethoxy)-2-(5-naphthalen-2-ylpentoxy)-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoate
CID 139832542
2-(carboxymethoxy)-3-[5-(furan-3-yl)pentoxy]-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid
CID 67580698
3-(4-naphthalen-2-yloxybutoxy)-4-(5-naphthalen-2-ylpentylamino)-4-oxo-2-(2-oxopropoxy)butanoic acid
CID 67580830
3-[5-(1,3-benzodioxol-5-yl)pentoxy]-2-(2-ethoxy-2-oxoethoxy)-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid
CID 67581995
2-(carboxymethoxy)-4-[4-(naphthalen-2-ylamino)butylamino]-3-(5-naphthalen-2-ylpentoxy)-4-oxobutanoic acid
CID 67582014
2-(carboxymethoxy)-3-[4-(3,5-dimethylanilino)butoxy]-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid
CID 67581358
2-(carboxymethoxy)-4-(5-naphthalen-2-ylpentylamino)-4-oxo-3-(5-quinoxalin-6-ylpentoxy)butanoic acid
CID 67580841
2-methoxy-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid
CID 141000785
2-(carboxymethoxy)-3-[4-(2,3-dihydro-1H-inden-5-ylamino)butoxy]-4-(5-naphthalen-2-ylpentylamino)-4-oxobutanoic acid
CID 67580594
6-(8-methoxyoctyl)naphthalene-2-carboxylic acid
CID 151877744
2-(carboxymethoxy)-3-[4-(3-chloro-4-methylanilino)butoxy]-4-(6-naphthalen-2-ylhexylamino)-4-oxobutanoic acid
CID 67580607

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide?
The IUPAC name of (2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide (CID 67580421) is (2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide.
What is the SMILES notation for (2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide?
The canonical SMILES for (2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide is O=C(NCCCCCc1ccc2ccccc2c1)[C@H](OCCCCCc1ccc2ccccc2c1)[C@H]1OCCOC1=O.
What is the InChIKey of (2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide?
The InChIKey is NIRCWZGUHHNLIS-KKLWWLSJSA-N. The full InChI is InChI=1S/C36H41NO5/c38-35(37-21-9-1-3-11-27-17-19-29-13-5-7-15-31(29)25-27)33(34-36(39)42-24-23-41-34)40-22-10-2-4-12-28-18-20-30-14-6-8-16-32(30)26-28/h5-8,13-20,25-26,33-34H,1-4,9-12,21-24H2,(H,37,38)/t33-,34-/m1/s1.
What are the key properties of (2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide?
(2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide has a molecular weight of 567.73 g/mol, XLogP of 6.56, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-naphthalen-2-ylpentoxy)-N-(5-naphthalen-2-ylpentyl)-2-[(2R)-3-oxo-1,4-dioxan-2-yl]acetamide is sourced from PubChem (CID 67580421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).