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

C20H35NO4 — CID 23847029

IUPAC(2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)NC2CCCC2)=C[C@H](C(C)(C)C)[C@H]1CCCO
InChIInChI=1S/C20H35NO4/c1-5-24-19-15(11-8-12-22)16(20(2,3)4)13-17(25-19)18(23)21-14-9-6-7-10-14/h13-16,19,22H,5-12H2,1-4H3,(H,21,23)/t15-,16+,19-/m1/s1
InChIKeyRKLIDXYIDVQODW-JTDSTZFVSA-N
MW353.50 g/mol
LogP3.37
Rot. Bonds7

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

(2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23847029) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is (2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23847029
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Name(2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)NC2CCCC2)=C[C@H](C(C)(C)C)[C@H]1CCCO
InChIInChI=1S/C20H35NO4/c1-5-24-19-15(11-8-12-22)16(20(2,3)4)13-17(25-19)18(23)21-14-9-6-7-10-14/h13-16,19,22H,5-12H2,1-4H3,(H,21,23)/t15-,16+,19-/m1/s1
InChIKeyRKLIDXYIDVQODW-JTDSTZFVSA-N
XLogP3.37
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23847028
(2S,3R,4R)-4-cyclohexyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23986578
(2S,3R,4R)-4-cyclobutyl-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23986573
(2R,3R,4S)-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23847036
(2R,3S,4S)-4-(4-chlorophenyl)-N-cyclohexyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902897
(2R,3S,4S)-N-cyclohexyl-2-ethoxy-4-(4-ethynylphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23789611
azocan-1-yl-[(2R,3R,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]methanone
CID 23986474
(2R,3S,4S)-N-cyclobutyl-2-ethoxy-3-(3-hydroxypropyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23760624
[(2R,3S,4S)-4-tert-butyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 23760615
(2R,3S,4S)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 23902905
(2R,3S,4S)-4-(1,3-benzodioxol-5-yl)-N-cyclopropyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930923
(2R,3S,4S)-4-cyclohexyl-N-(cyclopropylmethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 23930918

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 23847029) is (2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@@H]1OC(C(=O)NC2CCCC2)=C[C@H](C(C)(C)C)[C@H]1CCCO.
What is the InChIKey of (2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is RKLIDXYIDVQODW-JTDSTZFVSA-N. The full InChI is InChI=1S/C20H35NO4/c1-5-24-19-15(11-8-12-22)16(20(2,3)4)13-17(25-19)18(23)21-14-9-6-7-10-14/h13-16,19,22H,5-12H2,1-4H3,(H,21,23)/t15-,16+,19-/m1/s1.
What are the key properties of (2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,3R,4S)-4-tert-butyl-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 353.50 g/mol, XLogP of 3.37, 7 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-N-cyclopentyl-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23847029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).