(2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide

C15H29NO4 — CID 25140404

IUPAC(2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide
SMILESC[C@H]([C@@H](O)[C@@H](C)C(=O)N(C)C)[C@@H]1OC(C)(C)OC[C@H]1C
InChIInChI=1S/C15H29NO4/c1-9-8-19-15(4,5)20-13(9)10(2)12(17)11(3)14(18)16(6)7/h9-13,17H,8H2,1-7H3/t9-,10-,11-,12-,13-/m1/s1
InChIKeyYEMKDCQDOOMLJC-SYLRKERUSA-N
MW287.40 g/mol
LogP1.50
Rot. Bonds4

About (2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide

(2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide (PubChem CID 25140404) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide.

Molecular Properties

Compound Name(2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide
PubChem CID25140404
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name(2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide
SMILESC[C@H]([C@@H](O)[C@@H](C)C(=O)N(C)C)[C@@H]1OC(C)(C)OC[C@H]1C
InChIInChI=1S/C15H29NO4/c1-9-8-19-15(4,5)20-13(9)10(2)12(17)11(3)14(18)16(6)7/h9-13,17H,8H2,1-7H3/t9-,10-,11-,12-,13-/m1/s1
InChIKeyYEMKDCQDOOMLJC-SYLRKERUSA-N
XLogP1.50
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylphenyl) (2R,3R,4R)-3-hydroxy-2-methyl-4-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanoate
CID 14313262
(4S)-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-one
CID 13414271
(2R,3S)-N,N-dimethyl-3-[(1R)-1-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]oxirane-2-carboxamide
CID 23729632
(2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863684
methyl (Z,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoate
CID 100978294
[(2R,3R)-3-[(2R,4R)-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentan-2-yl]oxiran-2-yl]methanol
CID 56946557
(5R)-2,2,5-trimethyl-4-[(2S)-4-(oxiran-2-yl)butan-2-yl]-1,3-dioxane
CID 134878956
[(2R)-2-[(4R,5S,6S)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propyl] acetate
CID 10620195
O-[(2S,3R,4R)-4-methyl-2-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]hexan-3-yl] methylsulfanylmethanethioate
CID 50993179
(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxane
CID 100965726
(4S,5S)-2,2,5-trimethyl-4-[(2R,3S)-4-methyl-3-phenylmethoxypent-4-en-2-yl]-1,3-dioxane
CID 10448601
2-(2,2-dimethyl-1,3-dioxan-5-yl)-N-methoxy-N-methylpropanamide
CID 166447412

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide?
The IUPAC name of (2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide (CID 25140404) is (2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide.
What is the SMILES notation for (2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide?
The canonical SMILES for (2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide is C[C@H]([C@@H](O)[C@@H](C)C(=O)N(C)C)[C@@H]1OC(C)(C)OC[C@H]1C.
What is the InChIKey of (2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide?
The InChIKey is YEMKDCQDOOMLJC-SYLRKERUSA-N. The full InChI is InChI=1S/C15H29NO4/c1-9-8-19-15(4,5)20-13(9)10(2)12(17)11(3)14(18)16(6)7/h9-13,17H,8H2,1-7H3/t9-,10-,11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide?
(2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide has a molecular weight of 287.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-3-hydroxy-N,N,2-trimethyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pentanamide is sourced from PubChem (CID 25140404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).