(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide

C16H29NO4 — CID 23847028

IUPAC(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)NC)=C[C@H](C(C)(C)C)[C@H]1CCCO
InChIInChI=1S/C16H29NO4/c1-6-20-15-11(8-7-9-18)12(16(2,3)4)10-13(21-15)14(19)17-5/h10-12,15,18H,6-9H2,1-5H3,(H,17,19)/t11-,12+,15-/m1/s1
InChIKeyPGCISWFEFYMVHB-TYNCELHUSA-N
MW299.41 g/mol
LogP2.06
Rot. Bonds6

About (2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide

(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23847028) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23847028
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)NC)=C[C@H](C(C)(C)C)[C@H]1CCCO
InChIInChI=1S/C16H29NO4/c1-6-20-15-11(8-7-9-18)12(16(2,3)4)10-13(21-15)14(19)17-5/h10-12,15,18H,6-9H2,1-5H3,(H,17,19)/t11-,12+,15-/m1/s1
InChIKeyPGCISWFEFYMVHB-TYNCELHUSA-N
XLogP2.06
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23847028) is (2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@@H]1OC(C(=O)NC)=C[C@H](C(C)(C)C)[C@H]1CCCO.
What is the InChIKey of (2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is PGCISWFEFYMVHB-TYNCELHUSA-N. The full InChI is InChI=1S/C16H29NO4/c1-6-20-15-11(8-7-9-18)12(16(2,3)4)10-13(21-15)14(19)17-5/h10-12,15,18H,6-9H2,1-5H3,(H,17,19)/t11-,12+,15-/m1/s1.
What are the key properties of (2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23847028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).