N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide

C20H35NO4 — CID 66563294

IUPACN-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide
SMILESCCNC(=O)CO[C@H]1[C@H](C)/C=C(/C)COCCCCC/C=C/[C@@H]1OC
InChIInChI=1S/C20H35NO4/c1-5-21-19(22)15-25-20-17(3)13-16(2)14-24-12-10-8-6-7-9-11-18(20)23-4/h9,11,13,17-18,20H,5-8,10,12,14-15H2,1-4H3,(H,21,22)/b11-9+,16-13-/t17-,18+,20+/m1/s1
InChIKeyVWVAKWTVDSZHHD-GSLLBTJOSA-N
MW353.50 g/mol
LogP3.25
Rot. Bonds5

About N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide

N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide (PubChem CID 66563294) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide
PubChem CID66563294
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC NameN-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide
SMILESCCNC(=O)CO[C@H]1[C@H](C)/C=C(/C)COCCCCC/C=C/[C@@H]1OC
InChIInChI=1S/C20H35NO4/c1-5-21-19(22)15-25-20-17(3)13-16(2)14-24-12-10-8-6-7-9-11-18(20)23-4/h9,11,13,17-18,20H,5-8,10,12,14-15H2,1-4H3,(H,21,22)/b11-9+,16-13-/t17-,18+,20+/m1/s1
InChIKeyVWVAKWTVDSZHHD-GSLLBTJOSA-N
XLogP3.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide
CID 124191431
2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide
CID 66563179
(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one
CID 71236084
2-[(7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl)oxy]-N-methylacetamide
CID 77143333
10-Hydroxy-9-methoxy-11,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-dien-3-one
CID 78044104
N-but-3-enyl-2-[(2Z,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]acetamide
CID 89395615
2-[[(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide
CID 123768946
2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylethanamine
CID 137427832
N-but-3-enyl-2-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]acetamide;ethane
CID 144515549
[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] N-ethylcarbamate;2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]ethanol;2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide
CID 158868260
2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]-N-methylacetamide;methyl 2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetate
CID 159550059
N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide
CID 167078174

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide?
The IUPAC name of N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide (CID 66563294) is N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide.
What is the SMILES notation for N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide?
The canonical SMILES for N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide is CCNC(=O)CO[C@H]1[C@H](C)/C=C(/C)COCCCCC/C=C/[C@@H]1OC.
What is the InChIKey of N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide?
The InChIKey is VWVAKWTVDSZHHD-GSLLBTJOSA-N. The full InChI is InChI=1S/C20H35NO4/c1-5-21-19(22)15-25-20-17(3)13-16(2)14-24-12-10-8-6-7-9-11-18(20)23-4/h9,11,13,17-18,20H,5-8,10,12,14-15H2,1-4H3,(H,21,22)/b11-9+,16-13-/t17-,18+,20+/m1/s1.
What are the key properties of N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide?
N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide has a molecular weight of 353.50 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl]oxy]acetamide is sourced from PubChem (CID 66563294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).