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

C18H27NO3 — CID 100734854

IUPAC(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1
InChIInChI=1S/C18H27NO3/c1-4-6-13-21-16-11-9-15(10-12-16)19-17(20)18(3,22-5-2)14-7-8-14/h9-12,14H,4-8,13H2,1-3H3,(H,19,20)/t18-/m1/s1
InChIKeyDVZXEDQKOZWJIK-GOSISDBHSA-N
MW305.42 g/mol
LogP4.01
Rot. Bonds9

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

(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide (PubChem CID 100734854) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide.

Molecular Properties

Compound Name(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
PubChem CID100734854
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1
InChIInChI=1S/C18H27NO3/c1-4-6-13-21-16-11-9-15(10-12-16)19-17(20)18(3,22-5-2)14-7-8-14/h9-12,14H,4-8,13H2,1-3H3,(H,19,20)/t18-/m1/s1
InChIKeyDVZXEDQKOZWJIK-GOSISDBHSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.01
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-propoxypropanamide
CID 100717361
2-cyclopropyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-ethoxypropanamide
CID 133246885
(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide
CID 100718062
(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-cyclopropyl-2-ethoxypropanamide
CID 100735000
2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
CID 133246208
2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide
CID 133246464
2-cyclopropyl-2-ethoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]propanamide
CID 133246889
(2S)-2-cyclopropyl-2-ethoxy-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]propanamide
CID 125061179
(2R)-N-(4-cyclopentyloxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734929
(2R)-2-cyclopropyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-propoxypropanamide
CID 100717701
2-bromo-N-(4-butoxyphenyl)-2-methylpropanamide
CID 71668805
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide?
The IUPAC name of (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide (CID 100734854) is (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide.
What is the SMILES notation for (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide?
The canonical SMILES for (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide is CCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1.
What is the InChIKey of (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide?
The InChIKey is DVZXEDQKOZWJIK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-6-13-21-16-11-9-15(10-12-16)19-17(20)18(3,22-5-2)14-7-8-14/h9-12,14H,4-8,13H2,1-3H3,(H,19,20)/t18-/m1/s1.
What are the key properties of (2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide?
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide has a molecular weight of 305.42 g/mol, XLogP of 4.01, 9 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-ethoxypropanamide is sourced from PubChem (CID 100734854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).