N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide

C16H30N2O7 — CID 162475803

IUPACN-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide
SMILESCC(=O)N[C@@H]1C(OCCNC(=O)CC(C)(C)C)OC(CO)[C@@H](O)C1O
InChIInChI=1S/C16H30N2O7/c1-9(20)18-12-14(23)13(22)10(8-19)25-15(12)24-6-5-17-11(21)7-16(2,3)4/h10,12-15,19,22-23H,5-8H2,1-4H3,(H,17,21)(H,18,20)/t10?,12-,13+,14?,15?/m0/s1
InChIKeyFYIVTTVQKSEIEV-VOFOUSNASA-N
MW362.42 g/mol
LogP-1.50
Rot. Bonds7

About N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide

N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide (PubChem CID 162475803) has the molecular formula C16H30N2O7 and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide
PubChem CID162475803
Molecular FormulaC16H30N2O7
Molecular Weight362.42 g/mol
Exact Mass362.21
IUPAC NameN-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide
SMILESCC(=O)N[C@@H]1C(OCCNC(=O)CC(C)(C)C)OC(CO)[C@@H](O)C1O
InChIInChI=1S/C16H30N2O7/c1-9(20)18-12-14(23)13(22)10(8-19)25-15(12)24-6-5-17-11(21)7-16(2,3)4/h10,12-15,19,22-23H,5-8H2,1-4H3,(H,17,21)(H,18,20)/t10?,12-,13+,14?,15?/m0/s1
InChIKeyFYIVTTVQKSEIEV-VOFOUSNASA-N
XLogP-1.50
TPSA137.35 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 5-1.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethyl]propanamide;methanol
CID 169237224
tert-butyl N-[2-[2-[2-[2-[3-[2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 118535952
N-[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-ethoxypropanamide
CID 171593259
N-[(3R,4R,5S,6R)-2-(2-ethoxyethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 174993947
N-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide
CID 118054664
N-[2-[2-[2-[2-[2-[2-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 123986037
N-[(2R,5R)-2-[2-[2-[2-[2-[2-[2-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 156737513
N-[6-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]-3-(2,2-dimethylpropoxy)propanamide
CID 164838795
N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-oxobutoxy)oxan-3-yl]acetamide
CID 170539960
N-[(2S,3S,4R,5S,6R)-2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 68989394
N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 7573789
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(2-propoxyethoxy)ethoxy]oxan-3-yl]acetamide
CID 169238857

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide (CID 162475803) is N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide is CC(=O)N[C@@H]1C(OCCNC(=O)CC(C)(C)C)OC(CO)[C@@H](O)C1O.
What is the InChIKey of N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide?
The InChIKey is FYIVTTVQKSEIEV-VOFOUSNASA-N. The full InChI is InChI=1S/C16H30N2O7/c1-9(20)18-12-14(23)13(22)10(8-19)25-15(12)24-6-5-17-11(21)7-16(2,3)4/h10,12-15,19,22-23H,5-8H2,1-4H3,(H,17,21)(H,18,20)/t10?,12-,13+,14?,15?/m0/s1.
What are the key properties of N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide?
N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide has a molecular weight of 362.42 g/mol, XLogP of -1.50, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 162475803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).