2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide

C22H36N2O3 — CID 133246464

IUPAC2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide
SMILESCCCOC(C)(C(=O)Nc1ccc(OCCCN(CC)CC)cc1)C1CC1
InChIInChI=1S/C22H36N2O3/c1-5-16-27-22(4,18-9-10-18)21(25)23-19-11-13-20(14-12-19)26-17-8-15-24(6-2)7-3/h11-14,18H,5-10,15-17H2,1-4H3,(H,23,25)
InChIKeyWXXRSSPGUHRKQX-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.33
Rot. Bonds13

About 2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide

2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide (PubChem CID 133246464) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide
PubChem CID133246464
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide
SMILESCCCOC(C)(C(=O)Nc1ccc(OCCCN(CC)CC)cc1)C1CC1
InChIInChI=1S/C22H36N2O3/c1-5-16-27-22(4,18-9-10-18)21(25)23-19-11-13-20(14-12-19)26-17-8-15-24(6-2)7-3/h11-14,18H,5-10,15-17H2,1-4H3,(H,23,25)
InChIKeyWXXRSSPGUHRKQX-UHFFFAOYSA-N
XLogP4.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.33
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
(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide
CID 100718062
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734854
2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
CID 133246208
2-cyclopropyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-ethoxypropanamide
CID 133246885
(2R)-2-cyclopropyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-propoxypropanamide
CID 100717701
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
N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide
CID 133245961
(2S)-2-cyclopropyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100717751
(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100718617
(2S)-2-cyclopropyl-2-propoxy-N-(6-propoxy-3-pyridinyl)propanamide
CID 100778739

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide?
The IUPAC name of 2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide (CID 133246464) is 2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide?
The canonical SMILES for 2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide is CCCOC(C)(C(=O)Nc1ccc(OCCCN(CC)CC)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide?
The InChIKey is WXXRSSPGUHRKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-5-16-27-22(4,18-9-10-18)21(25)23-19-11-13-20(14-12-19)26-17-8-15-24(6-2)7-3/h11-14,18H,5-10,15-17H2,1-4H3,(H,23,25).
What are the key properties of 2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide?
2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide has a molecular weight of 376.54 g/mol, XLogP of 4.33, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide is sourced from PubChem (CID 133246464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).