2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide

C16H31NO7 — CID 656923

IUPAC2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide
SMILESO=C(CC1CCCCC1)N(CCO)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C16H31NO7/c18-7-6-17(14(22)8-11-4-2-1-3-5-11)9-12(20)15(23)16(24)13(21)10-19/h11-13,15-16,18-21,23-24H,1-10H2/t12-,13+,15-,16+/m1/s1
InChIKeyDIWWAIOQKLBBRJ-CLWVCHIJSA-N
MW349.42 g/mol
LogP-1.79
Rot. Bonds10

About 2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide

2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide (PubChem CID 656923) has the molecular formula C16H31NO7 and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide
PubChem CID656923
Molecular FormulaC16H31NO7
Molecular Weight349.42 g/mol
Exact Mass349.21
IUPAC Name2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide
SMILESO=C(CC1CCCCC1)N(CCO)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C16H31NO7/c18-7-6-17(14(22)8-11-4-2-1-3-5-11)9-12(20)15(23)16(24)13(21)10-19/h11-13,15-16,18-21,23-24H,1-10H2/t12-,13+,15-,16+/m1/s1
InChIKeyDIWWAIOQKLBBRJ-CLWVCHIJSA-N
XLogP-1.79
TPSA141.69 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.42
LogP ≤ 5-1.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide with MolForge

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Related Compounds

2-cyclohexyl-N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)acetamide
CID 20608406
2-cyclohexyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612848
2-cyclopentyl-N,N-bis(2-methylpropyl)acetamide
CID 78797313
3-[(2-cyclohexylacetyl)-(3-hydroxypropyl)amino]propanoic acid
CID 82326091
N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide
CID 114457887
2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide
CID 10314256
N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]-N-propyl-2-sulfanylacetamide
CID 129251874
(4R,5S)-5-amino-6-cyclohexylhexane-1,2,3,4-tetrol
CID 54442310
N,N-dibutyl-2-cyclopentylacetamide
CID 13315634
(2R,3R,4R,5R)-N,N-dicyclohexyl-2,3,4,5,6-pentahydroxyhexanamide
CID 98565543
3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid
CID 82326124
(2R,3R,4R)-6-cyclohexylhexane-1,2,3,4-tetrol
CID 54540635

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide (CID 656923) is 2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide is O=C(CC1CCCCC1)N(CCO)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO.
What is the InChIKey of 2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide?
The InChIKey is DIWWAIOQKLBBRJ-CLWVCHIJSA-N. The full InChI is InChI=1S/C16H31NO7/c18-7-6-17(14(22)8-11-4-2-1-3-5-11)9-12(20)15(23)16(24)13(21)10-19/h11-13,15-16,18-21,23-24H,1-10H2/t12-,13+,15-,16+/m1/s1.
What are the key properties of 2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide?
2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide has a molecular weight of 349.42 g/mol, XLogP of -1.79, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]acetamide is sourced from PubChem (CID 656923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).