N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide

C15H29NO5 — CID 164821694

IUPACN-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide
SMILESCC(C)COCC1OC(CNC(=O)CC(C)C)C(O)C1O
InChIInChI=1S/C15H29NO5/c1-9(2)5-13(17)16-6-11-14(18)15(19)12(21-11)8-20-7-10(3)4/h9-12,14-15,18-19H,5-8H2,1-4H3,(H,16,17)
InChIKeyGEODRPYFKFHNBB-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.31
Rot. Bonds8

About N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide

N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide (PubChem CID 164821694) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide
PubChem CID164821694
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC NameN-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide
SMILESCC(C)COCC1OC(CNC(=O)CC(C)C)C(O)C1O
InChIInChI=1S/C15H29NO5/c1-9(2)5-13(17)16-6-11-14(18)15(19)12(21-11)8-20-7-10(3)4/h9-12,14-15,18-19H,5-8H2,1-4H3,(H,16,17)
InChIKeyGEODRPYFKFHNBB-UHFFFAOYSA-N
XLogP0.31
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-ethylbutanamide
CID 11884348
N-[[(3aS,4R,6R,7R,7aR)-7-hydroxy-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]cyclopropanecarboxamide
CID 25268200
2,2-dimethyl-N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]propanamide
CID 44389711
4-hydroxy-N-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]butanamide
CID 44389821
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(((S)-3-methylbutan-2-ylamino)methyl)-tetrahydrofuran-3,4-diol
CID 44585231
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-[[[(2R)-3-methylbutan-2-yl]amino]methyl]oxolane-3,4-diol
CID 44585232
N-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanamide
CID 118719321
Pivaloyl-d-galactosylamine
CID 129846943
N-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanamide
CID 4199030
N-[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]acetamide
CID 101259526
acetamido-1,4,5,6-tetra-O-methylgalactitol
CID 129800706
acetamido-1,4,5-tri-O-methylgalactitol
CID 129800712

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide?
The IUPAC name of N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide (CID 164821694) is N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide?
The canonical SMILES for N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide is CC(C)COCC1OC(CNC(=O)CC(C)C)C(O)C1O.
What is the InChIKey of N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide?
The InChIKey is GEODRPYFKFHNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-9(2)5-13(17)16-6-11-14(18)15(19)12(21-11)8-20-7-10(3)4/h9-12,14-15,18-19H,5-8H2,1-4H3,(H,16,17).
What are the key properties of N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide?
N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide has a molecular weight of 303.40 g/mol, XLogP of 0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-dihydroxy-5-(2-methylpropoxymethyl)oxolan-2-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 164821694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).