N-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide

C14H27NO7 — CID 71115919

IUPACN-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide
SMILESCCCCCCCNC(=O)C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H27NO7/c1-2-3-4-5-6-7-15-13(20)11(19)12-9(17)8(16)10(18)14(21)22-12/h8-12,14,16-19,21H,2-7H2,1H3,(H,15,20)/t8-,9-,10+,11?,12-,14-/m0/s1
InChIKeyLNPKPUVVJDNJDI-CNDHERAZSA-N
MW321.37 g/mol
LogP-1.77
Rot. Bonds8

About N-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide

N-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide (PubChem CID 71115919) has the molecular formula C14H27NO7 and a molecular weight of 321.37 g/mol. Its IUPAC name is N-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide.

Molecular Properties

Compound NameN-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide
PubChem CID71115919
Molecular FormulaC14H27NO7
Molecular Weight321.37 g/mol
Exact Mass321.18
IUPAC NameN-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide
SMILESCCCCCCCNC(=O)C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H27NO7/c1-2-3-4-5-6-7-15-13(20)11(19)12-9(17)8(16)10(18)14(21)22-12/h8-12,14,16-19,21H,2-7H2,1H3,(H,15,20)/t8-,9-,10+,11?,12-,14-/m0/s1
InChIKeyLNPKPUVVJDNJDI-CNDHERAZSA-N
XLogP-1.77
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.37
LogP ≤ 5-1.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide?
The IUPAC name of N-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide (CID 71115919) is N-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide.
What is the SMILES notation for N-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide?
The canonical SMILES for N-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide is CCCCCCCNC(=O)C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide?
The InChIKey is LNPKPUVVJDNJDI-CNDHERAZSA-N. The full InChI is InChI=1S/C14H27NO7/c1-2-3-4-5-6-7-15-13(20)11(19)12-9(17)8(16)10(18)14(21)22-12/h8-12,14,16-19,21H,2-7H2,1H3,(H,15,20)/t8-,9-,10+,11?,12-,14-/m0/s1.
What are the key properties of N-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide?
N-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide has a molecular weight of 321.37 g/mol, XLogP of -1.77, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-hydroxy-2-[(2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]acetamide is sourced from PubChem (CID 71115919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).