2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide

C23H38N2O5 — CID 4620605

IUPAC2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
SMILESCC(C)C1COC(=O)CCCCC=CCC(CC(=O)NC2(CO)CCCC2)C(=O)N1
InChIInChI=1S/C23H38N2O5/c1-17(2)19-15-30-21(28)11-7-5-3-4-6-10-18(22(29)24-19)14-20(27)25-23(16-26)12-8-9-13-23/h4,6,17-19,26H,3,5,7-16H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyDIEKQUVKBXDUMS-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.62
Rot. Bonds5

About 2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide

2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide (PubChem CID 4620605) has the molecular formula C23H38N2O5 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
PubChem CID4620605
Molecular FormulaC23H38N2O5
Molecular Weight422.57 g/mol
Exact Mass422.28
IUPAC Name2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
SMILESCC(C)C1COC(=O)CCCCC=CCC(CC(=O)NC2(CO)CCCC2)C(=O)N1
InChIInChI=1S/C23H38N2O5/c1-17(2)19-15-30-21(28)11-7-5-3-4-6-10-18(22(29)24-19)14-20(27)25-23(16-26)12-8-9-13-23/h4,6,17-19,26H,3,5,7-16H2,1-2H3,(H,24,29)(H,25,27)
InChIKeyDIEKQUVKBXDUMS-UHFFFAOYSA-N
XLogP2.62
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide (CID 4620605) is 2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide is CC(C)C1COC(=O)CCCCC=CCC(CC(=O)NC2(CO)CCCC2)C(=O)N1.
What is the InChIKey of 2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
The InChIKey is DIEKQUVKBXDUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O5/c1-17(2)19-15-30-21(28)11-7-5-3-4-6-10-18(22(29)24-19)14-20(27)25-23(16-26)12-8-9-13-23/h4,6,17-19,26H,3,5,7-16H2,1-2H3,(H,24,29)(H,25,27).
What are the key properties of 2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide?
2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide has a molecular weight of 422.57 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,14-dioxo-3-propan-2-yl-1-oxa-4-azacyclotetradec-8-en-6-yl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 4620605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).