N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide

C19H24N2O4 — CID 86714904

IUPACN-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide
SMILESCC(=O)N[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)[C@@H](C)OC1=O
InChIInChI=1S/C19H24N2O4/c1-13-18(15-9-5-3-6-10-15)21-17(23)12-8-4-7-11-16(19(24)25-13)20-14(2)22/h3-7,9-10,13,16,18H,8,11-12H2,1-2H3,(H,20,22)(H,21,23)/b7-4+/t13-,16-,18+/m1/s1
InChIKeyXLSYQRLPGMNAFL-JCZOKPNYSA-N
MW344.41 g/mol
LogP2.02
Rot. Bonds2

About N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide

N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide (PubChem CID 86714904) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide
PubChem CID86714904
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide
SMILESCC(=O)N[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)[C@@H](C)OC1=O
InChIInChI=1S/C19H24N2O4/c1-13-18(15-9-5-3-6-10-15)21-17(23)12-8-4-7-11-16(19(24)25-13)20-14(2)22/h3-7,9-10,13,16,18H,8,11-12H2,1-2H3,(H,20,22)(H,21,23)/b7-4+/t13-,16-,18+/m1/s1
InChIKeyXLSYQRLPGMNAFL-JCZOKPNYSA-N
XLogP2.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide?
The IUPAC name of N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide (CID 86714904) is N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide?
The canonical SMILES for N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide is CC(=O)N[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)[C@@H](C)OC1=O.
What is the InChIKey of N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide?
The InChIKey is XLSYQRLPGMNAFL-JCZOKPNYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-18(15-9-5-3-6-10-15)21-17(23)12-8-4-7-11-16(19(24)25-13)20-14(2)22/h3-7,9-10,13,16,18H,8,11-12H2,1-2H3,(H,20,22)(H,21,23)/b7-4+/t13-,16-,18+/m1/s1.
What are the key properties of N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide?
N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide has a molecular weight of 344.41 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,8E,11R)-2-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide is sourced from PubChem (CID 86714904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).