(2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide

C13H24N2O4 — CID 94646376

IUPAC(2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide
SMILESCCOCCO[C@H](C)C(=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C13H24N2O4/c1-3-18-8-9-19-10(2)12(16)15-11-6-4-5-7-14-13(11)17/h10-11H,3-9H2,1-2H3,(H,14,17)(H,15,16)/t10-,11-/m1/s1
InChIKeyIHBPRZAZTWAYOG-GHMZBOCLSA-N
MW272.34 g/mol
LogP0.21
Rot. Bonds7

About (2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide

(2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide (PubChem CID 94646376) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide
PubChem CID94646376
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide
SMILESCCOCCO[C@H](C)C(=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C13H24N2O4/c1-3-18-8-9-19-10(2)12(16)15-11-6-4-5-7-14-13(11)17/h10-11H,3-9H2,1-2H3,(H,14,17)(H,15,16)/t10-,11-/m1/s1
InChIKeyIHBPRZAZTWAYOG-GHMZBOCLSA-N
XLogP0.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.21
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

(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11379810
(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide
CID 107568483
2-methoxy-N-(2-oxopiperidin-3-yl)butanamide
CID 47478755
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898
(E,2R)-3,4,5-trihydroxy-2-methoxy-8-methyl-N-[(3S)-2-oxoazepan-3-yl]dec-6-enamide
CID 58765109
2-bromo-N-(2-oxopiperidin-3-yl)butanamide
CID 62856171
3-(3-ethoxypropylamino)azepan-2-one
CID 43199290
3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 134570387
2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide
CID 103614914
(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731
ethyl 2-oxo-2-[[(3R)-2-oxoazepan-3-yl]amino]acetate
CID 7004152
(2R)-2-(2-ethoxyethoxy)-N-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]propanamide
CID 95282629

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide?
The IUPAC name of (2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide (CID 94646376) is (2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide?
The canonical SMILES for (2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide is CCOCCO[C@H](C)C(=O)N[C@@H]1CCCCNC1=O.
What is the InChIKey of (2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide?
The InChIKey is IHBPRZAZTWAYOG-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-18-8-9-19-10(2)12(16)15-11-6-4-5-7-14-13(11)17/h10-11H,3-9H2,1-2H3,(H,14,17)(H,15,16)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide?
(2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide has a molecular weight of 272.34 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide is sourced from PubChem (CID 94646376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).