(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide

C19H29NO4 — CID 100718062

IUPAC(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide
SMILESCCCO[C@](C)(C(=O)Nc1ccc(OCCOCC)cc1)C1CC1
InChIInChI=1S/C19H29NO4/c1-4-12-24-19(3,15-6-7-15)18(21)20-16-8-10-17(11-9-16)23-14-13-22-5-2/h8-11,15H,4-7,12-14H2,1-3H3,(H,20,21)/t19-/m0/s1
InChIKeyCAAFOQDELLWGGN-IBGZPJMESA-N
MW335.44 g/mol
LogP3.64
Rot. Bonds11

About (2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide

(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide (PubChem CID 100718062) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide
PubChem CID100718062
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide
SMILESCCCO[C@](C)(C(=O)Nc1ccc(OCCOCC)cc1)C1CC1
InChIInChI=1S/C19H29NO4/c1-4-12-24-19(3,15-6-7-15)18(21)20-16-8-10-17(11-9-16)23-14-13-22-5-2/h8-11,15H,4-7,12-14H2,1-3H3,(H,20,21)/t19-/m0/s1
InChIKeyCAAFOQDELLWGGN-IBGZPJMESA-N
XLogP3.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100717361
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734854
2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide
CID 133246464
2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
CID 133246208
(2R)-2-cyclopropyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-propoxypropanamide
CID 100717701
2-cyclopropyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-ethoxypropanamide
CID 133246885
2-cyclopropyl-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypropanamide
CID 133246460
(2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 125060316
(2S)-2-cyclopropyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100717751
2-bromo-N-[4-(2-ethoxyethoxy)phenyl]-2-methylpropanamide
CID 100691237
(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide
CID 100728845
(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
CID 100735000

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide?
The IUPAC name of (2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide (CID 100718062) is (2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide.
What is the SMILES notation for (2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide?
The canonical SMILES for (2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide is CCCO[C@](C)(C(=O)Nc1ccc(OCCOCC)cc1)C1CC1.
What is the InChIKey of (2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide?
The InChIKey is CAAFOQDELLWGGN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29NO4/c1-4-12-24-19(3,15-6-7-15)18(21)20-16-8-10-17(11-9-16)23-14-13-22-5-2/h8-11,15H,4-7,12-14H2,1-3H3,(H,20,21)/t19-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide?
(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide has a molecular weight of 335.44 g/mol, XLogP of 3.64, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide is sourced from PubChem (CID 100718062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).