3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide

C17H25NO5 — CID 91761869

IUPAC3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
SMILESCCOCCOc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OC)c1
InChIInChI=1S/C17H25NO5/c1-3-21-9-10-23-14-6-4-5-13(11-14)17(19)18-15-7-8-22-12-16(15)20-2/h4-6,11,15-16H,3,7-10,12H2,1-2H3,(H,18,19)/t15-,16-/m1/s1
InChIKeyADUIZHIWZUKVHM-HZPDHXFCSA-N
MW323.39 g/mol
LogP1.64
Rot. Bonds8

About 3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide

3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide (PubChem CID 91761869) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
PubChem CID91761869
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
SMILESCCOCCOc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OC)c1
InChIInChI=1S/C17H25NO5/c1-3-21-9-10-23-14-6-4-5-13(11-14)17(19)18-15-7-8-22-12-16(15)20-2/h4-6,11,15-16H,3,7-10,12H2,1-2H3,(H,18,19)/t15-,16-/m1/s1
InChIKeyADUIZHIWZUKVHM-HZPDHXFCSA-N
XLogP1.64
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.64
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

N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91762413
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3R,4S)-3-methoxyoxan-4-yl]benzamide
CID 164630095
3-(difluoromethoxy)-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]benzamide
CID 91776698
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
CID 91762361
N'-butanoyl-3-(2-ethoxyethoxy)benzohydrazide
CID 17139798
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
N-(3-hydroxycyclobutyl)-3-(2-methoxyethoxy)benzamide
CID 126818884
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide
CID 110145684
3-(2-ethoxyethoxy)-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 17142058
N-[(3S,4R)-3-hydroxyoxan-4-yl]-3-phenoxybenzamide
CID 91794686

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide?
The IUPAC name of 3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide (CID 91761869) is 3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide.
What is the SMILES notation for 3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide?
The canonical SMILES for 3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide is CCOCCOc1cccc(C(=O)N[C@@H]2CCOC[C@H]2OC)c1.
What is the InChIKey of 3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide?
The InChIKey is ADUIZHIWZUKVHM-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H25NO5/c1-3-21-9-10-23-14-6-4-5-13(11-14)17(19)18-15-7-8-22-12-16(15)20-2/h4-6,11,15-16H,3,7-10,12H2,1-2H3,(H,18,19)/t15-,16-/m1/s1.
What are the key properties of 3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide?
3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide has a molecular weight of 323.39 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide is sourced from PubChem (CID 91761869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).