(2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide

C23H28N2O4 — CID 124970605

IUPAC(2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
SMILESCOc1ccccc1-c1cccc(C[C@]2(C(=O)NCCNC(C)=O)CCCO2)c1
InChIInChI=1S/C23H28N2O4/c1-17(26)24-12-13-25-22(27)23(11-6-14-29-23)16-18-7-5-8-19(15-18)20-9-3-4-10-21(20)28-2/h3-5,7-10,15H,6,11-14,16H2,1-2H3,(H,24,26)(H,25,27)/t23-/m0/s1
InChIKeyJRDXNYIWCJIXDL-QHCPKHFHSA-N
MW396.49 g/mol
LogP2.71
Rot. Bonds8

About (2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide

(2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide (PubChem CID 124970605) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
PubChem CID124970605
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
SMILESCOc1ccccc1-c1cccc(C[C@]2(C(=O)NCCNC(C)=O)CCCO2)c1
InChIInChI=1S/C23H28N2O4/c1-17(26)24-12-13-25-22(27)23(11-6-14-29-23)16-18-7-5-8-19(15-18)20-9-3-4-10-21(20)28-2/h3-5,7-10,15H,6,11-14,16H2,1-2H3,(H,24,26)(H,25,27)/t23-/m0/s1
InChIKeyJRDXNYIWCJIXDL-QHCPKHFHSA-N
XLogP2.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 95806174
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
CID 132779821
(2S)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
CID 129456579
(2S)-N-(4-imidazol-1-ylbutyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
CID 129457151
2-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 132779946
N-(2-methoxyethyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 95805201
N-[3-(dimethylamino)propyl]-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110087861
(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 129457272
N-butan-2-yl-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110082331
(2S)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxolane-2-carboxamide
CID 129455270
(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 129454956
(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(1-methylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 129455798

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide (CID 124970605) is (2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide is COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCNC(C)=O)CCCO2)c1.
What is the InChIKey of (2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is JRDXNYIWCJIXDL-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17(26)24-12-13-25-22(27)23(11-6-14-29-23)16-18-7-5-8-19(15-18)20-9-3-4-10-21(20)28-2/h3-5,7-10,15H,6,11-14,16H2,1-2H3,(H,24,26)(H,25,27)/t23-/m0/s1.
What are the key properties of (2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide?
(2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-acetamidoethyl)-2-[[3-(2-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 124970605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).