2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide

C16H23NO3 — CID 133246208

IUPAC2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)C(C)(OC)C2CC2)cc1
InChIInChI=1S/C16H23NO3/c1-4-11-20-14-9-7-13(8-10-14)17-15(18)16(2,19-3)12-5-6-12/h7-10,12H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyAJBJOHXYZWUCGM-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.23
Rot. Bonds7

About 2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide

2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide (PubChem CID 133246208) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
PubChem CID133246208
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(NC(=O)C(C)(OC)C2CC2)cc1
InChIInChI=1S/C16H23NO3/c1-4-11-20-14-9-7-13(8-10-14)17-15(18)16(2,19-3)12-5-6-12/h7-10,12H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyAJBJOHXYZWUCGM-UHFFFAOYSA-N
XLogP3.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
(2S)-2-cyclopropyl-N-[4-(2-ethoxyethoxy)phenyl]-2-propoxypropanamide
CID 100718062
(2S)-2-cyclopropyl-N-(3,5-dimethyl-4-propoxyphenyl)-2-methoxypropanamide
CID 100709750
2-cyclopropyl-2-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]propanamide
CID 133246232
2-cyclopropyl-N-[4-[3-(diethylamino)propoxy]phenyl]-2-propoxypropanamide
CID 133246464
(2R)-2-cyclopropyl-2-methoxy-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]propanamide
CID 100709144
(2S)-2-cyclopropyl-2-methoxy-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 100708900
(2S)-N-(3-cyano-4-propoxyphenyl)-2-cyclopropyl-2-methoxypropanamide
CID 100758079
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)butanamide
CID 100693286
2-cyclopropyl-2-methoxy-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propanamide
CID 133246235
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide?
The IUPAC name of 2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide (CID 133246208) is 2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide.
What is the SMILES notation for 2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide?
The canonical SMILES for 2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide is CCCOc1ccc(NC(=O)C(C)(OC)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide?
The InChIKey is AJBJOHXYZWUCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-11-20-14-9-7-13(8-10-14)17-15(18)16(2,19-3)12-5-6-12/h7-10,12H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of 2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide?
2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide has a molecular weight of 277.36 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxy-N-(4-propoxyphenyl)propanamide is sourced from PubChem (CID 133246208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).