ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide

C13H28N2O4 — CID 145237807

IUPACethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide
SMILESCC.CNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC
InChIInChI=1S/C11H22N2O4.C2H6/c1-11(2,7-17-4)9(15)10(16)13-6-5-8(14)12-3;1-2/h9,15H,5-7H2,1-4H3,(H,12,14)(H,13,16);1-2H3/t9-;/m0./s1
InChIKeyPICHPPDLSJFZMH-FVGYRXGTSA-N
MW276.38 g/mol
LogP0.30
Rot. Bonds7

About ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide

ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide (PubChem CID 145237807) has the molecular formula C13H28N2O4 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide.

Molecular Properties

Compound Nameethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide
PubChem CID145237807
Molecular FormulaC13H28N2O4
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Nameethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide
SMILESCC.CNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC
InChIInChI=1S/C11H22N2O4.C2H6/c1-11(2,7-17-4)9(15)10(16)13-6-5-8(14)12-3;1-2/h9,15H,5-7H2,1-4H3,(H,12,14)(H,13,16);1-2H3/t9-;/m0./s1
InChIKeyPICHPPDLSJFZMH-FVGYRXGTSA-N
XLogP0.30
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Pantothenic Acid
CID 6613
Dexpanthenol
CID 131204
Calcium Pantothenate
CID 443753
DL-panthenol
CID 4678
Sodium Pantothenate
CID 23679004
(R)-Pantothenate
CID 167945
Pantetheine
CID 439322
(+-)-Pantothenic acid
CID 988
Hopantenic Acid
CID 28281
(+)-Pantothenyl ethyl ether
CID 94184
Pantothenamide monoethanolamide
CID 12313860
Panthenyl Ethyl Ether Acetate
CID 71587444

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide?
The IUPAC name of ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide (CID 145237807) is ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide.
What is the SMILES notation for ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide?
The canonical SMILES for ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide is CC.CNC(=O)CCNC(=O)[C@H](O)C(C)(C)COC.
What is the InChIKey of ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide?
The InChIKey is PICHPPDLSJFZMH-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H22N2O4.C2H6/c1-11(2,7-17-4)9(15)10(16)13-6-5-8(14)12-3;1-2/h9,15H,5-7H2,1-4H3,(H,12,14)(H,13,16);1-2H3/t9-;/m0./s1.
What are the key properties of ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide?
ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-2-hydroxy-4-methoxy-3,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]butanamide is sourced from PubChem (CID 145237807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).