(3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide

C11H23NO4 — CID 176565208

IUPAC(3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide
SMILESCCC(C)NC(=O)C[C@@H](O)C[C@H](O)COC
InChIInChI=1S/C11H23NO4/c1-4-8(2)12-11(15)6-9(13)5-10(14)7-16-3/h8-10,13-14H,4-7H2,1-3H3,(H,12,15)/t8?,9-,10-/m0/s1
InChIKeyXQZXMCNUPMNLIG-AGROOBSYSA-N
MW233.31 g/mol
LogP0.05
Rot. Bonds8

About (3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide

(3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide (PubChem CID 176565208) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide.

Molecular Properties

Compound Name(3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide
PubChem CID176565208
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name(3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide
SMILESCCC(C)NC(=O)C[C@@H](O)C[C@H](O)COC
InChIInChI=1S/C11H23NO4/c1-4-8(2)12-11(15)6-9(13)5-10(14)7-16-3/h8-10,13-14H,4-7H2,1-3H3,(H,12,15)/t8?,9-,10-/m0/s1
InChIKeyXQZXMCNUPMNLIG-AGROOBSYSA-N
XLogP0.05
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
1,5-dimethoxypentane-2,4-diol
CID 88937884
N-butan-2-yl-2-(2-methoxyethoxy)acetamide
CID 60650985
N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 114163587
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
N-butan-2-yl-3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]propanamide
CID 106989516
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide
CID 62014011
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 106285636
(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide
CID 97019330
(3S)-3-hydroxy-4-methoxybutanoic acid
CID 124506936
2-(butan-2-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81084433

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide?
The IUPAC name of (3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide (CID 176565208) is (3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide.
What is the SMILES notation for (3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide?
The canonical SMILES for (3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide is CCC(C)NC(=O)C[C@@H](O)C[C@H](O)COC.
What is the InChIKey of (3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide?
The InChIKey is XQZXMCNUPMNLIG-AGROOBSYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-4-8(2)12-11(15)6-9(13)5-10(14)7-16-3/h8-10,13-14H,4-7H2,1-3H3,(H,12,15)/t8?,9-,10-/m0/s1.
What are the key properties of (3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide?
(3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide has a molecular weight of 233.31 g/mol, XLogP of 0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N-butan-2-yl-3,5-dihydroxy-6-methoxyhexanamide is sourced from PubChem (CID 176565208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).