(2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide

C16H24N2O3 — CID 100777431

IUPAC(2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide
SMILESCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)c(C)n1
InChIInChI=1S/C16H24N2O3/c1-5-20-14-10-9-13(11(3)17-14)18-15(19)16(4,21-6-2)12-7-8-12/h9-10,12H,5-8H2,1-4H3,(H,18,19)/t16-/m0/s1
InChIKeyDUEPTXKWSVLOSZ-INIZCTEOSA-N
MW292.38 g/mol
LogP2.93
Rot. Bonds7

About (2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide

(2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide (PubChem CID 100777431) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide
PubChem CID100777431
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide
SMILESCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)c(C)n1
InChIInChI=1S/C16H24N2O3/c1-5-20-14-10-9-13(11(3)17-14)18-15(19)16(4,21-6-2)12-7-8-12/h9-10,12H,5-8H2,1-4H3,(H,18,19)/t16-/m0/s1
InChIKeyDUEPTXKWSVLOSZ-INIZCTEOSA-N
XLogP2.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(6-ethoxy-2-methyl-3-pyridinyl)-2-methyl-2-propoxybutanamide
CID 100777585
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2-methylpentanamide
CID 100776429
(2S)-2-cyclopropyl-2-ethoxy-N-(8-methoxyquinolin-5-yl)propanamide
CID 100777479
2-ethoxy-2-methyl-N-(2-methyl-6-propoxy-3-pyridinyl)heptanamide
CID 133205778
(2S)-2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2-methylpentanamide
CID 100776441
(2S)-2-ethoxy-N-(6-methoxy-2-methyl-3-pyridinyl)-2-methylpentanamide
CID 100776410
(2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide
CID 100763689
(2S)-N-(6-butoxy-2-methyl-3-pyridinyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100776244
2-ethoxy-N-[6-(2-ethoxyethoxy)-2-methyl-3-pyridinyl]-2,4-dimethylpentanamide
CID 133205697
(2S)-2-cyclopropyl-2-ethoxy-N-(4-methoxynaphthalen-1-yl)propanamide
CID 100763642
(2R)-2-cyclopropyl-N-(6-ethoxy-3-pyridinyl)-2-methoxypropanamide
CID 100775745
N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-2-methyl-2-propoxypropanamide
CID 100777525

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide?
The IUPAC name of (2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide (CID 100777431) is (2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide is CCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)c(C)n1.
What is the InChIKey of (2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide?
The InChIKey is DUEPTXKWSVLOSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-20-14-10-9-13(11(3)17-14)18-15(19)16(4,21-6-2)12-7-8-12/h9-10,12H,5-8H2,1-4H3,(H,18,19)/t16-/m0/s1.
What are the key properties of (2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide?
(2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopropyl-2-ethoxy-N-(6-ethoxy-2-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 100777431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).