N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide

C21H32N2O5 — CID 56774911

IUPACN-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide
SMILESCCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C(CC)CC)cc1
InChIInChI=1S/C21H32N2O5/c1-4-15(5-2)21(26)22-17-9-7-16(8-10-17)20(25)18-13-28-14-19(24)23(18)11-12-27-6-3/h7-10,15,18,20,25H,4-6,11-14H2,1-3H3,(H,22,26)/t18-,20-/m1/s1
InChIKeyQUBIOGONZCHUID-UYAOXDASSA-N
MW392.50 g/mol
LogP2.36
Rot. Bonds10

About N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide

N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide (PubChem CID 56774911) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide
PubChem CID56774911
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC NameN-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide
SMILESCCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C(CC)CC)cc1
InChIInChI=1S/C21H32N2O5/c1-4-15(5-2)21(26)22-17-9-7-16(8-10-17)20(25)18-13-28-14-19(24)23(18)11-12-27-6-3/h7-10,15,18,20,25H,4-6,11-14H2,1-3H3,(H,22,26)/t18-,20-/m1/s1
InChIKeyQUBIOGONZCHUID-UYAOXDASSA-N
XLogP2.36
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide?
The IUPAC name of N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide (CID 56774911) is N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide.
What is the SMILES notation for N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide?
The canonical SMILES for N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide is CCOCCN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)C(CC)CC)cc1.
What is the InChIKey of N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide?
The InChIKey is QUBIOGONZCHUID-UYAOXDASSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-4-15(5-2)21(26)22-17-9-7-16(8-10-17)20(25)18-13-28-14-19(24)23(18)11-12-27-6-3/h7-10,15,18,20,25H,4-6,11-14H2,1-3H3,(H,22,26)/t18-,20-/m1/s1.
What are the key properties of N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide?
N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide has a molecular weight of 392.50 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide is sourced from PubChem (CID 56774911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).