(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide

C19H29NO3 — CID 100717361

IUPAC(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1
InChIInChI=1S/C19H29NO3/c1-4-6-14-22-17-11-9-16(10-12-17)20-18(21)19(3,15-7-8-15)23-13-5-2/h9-12,15H,4-8,13-14H2,1-3H3,(H,20,21)/t19-/m1/s1
InChIKeyUJEOLKKXQDICMS-LJQANCHMSA-N
MW319.45 g/mol
LogP4.40
Rot. Bonds10

About (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide

(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide (PubChem CID 100717361) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide.

Molecular Properties

Compound Name(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
PubChem CID100717361
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1
InChIInChI=1S/C19H29NO3/c1-4-6-14-22-17-11-9-16(10-12-17)20-18(21)19(3,15-7-8-15)23-13-5-2/h9-12,15H,4-8,13-14H2,1-3H3,(H,20,21)/t19-/m1/s1
InChIKeyUJEOLKKXQDICMS-LJQANCHMSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethoxypropanamide
CID 100734854
(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide
CID 100718062
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-(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-cyclopropyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-ethoxypropanamide
CID 133246885
(2S)-2-cyclopropyl-2-propoxy-N-(6-propoxy-3-pyridinyl)propanamide
CID 100778739
(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
CID 100735000
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The IUPAC name of (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide (CID 100717361) is (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide.
What is the SMILES notation for (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The canonical SMILES for (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide is CCCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1.
What is the InChIKey of (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
The InChIKey is UJEOLKKXQDICMS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-6-14-22-17-11-9-16(10-12-17)20-18(21)19(3,15-7-8-15)23-13-5-2/h9-12,15H,4-8,13-14H2,1-3H3,(H,20,21)/t19-/m1/s1.
What are the key properties of (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide?
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide has a molecular weight of 319.45 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-propoxypropanamide is sourced from PubChem (CID 100717361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).