2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

C14H27NO3 — CID 113434987

IUPAC2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCC(CO)(CO)NC(=O)CC1CCCCCC1
InChIInChI=1S/C14H27NO3/c1-2-14(10-16,11-17)15-13(18)9-12-7-5-3-4-6-8-12/h12,16-17H,2-11H2,1H3,(H,15,18)
InChIKeySVZHBVJCWOROHA-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.60
Rot. Bonds6

About 2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (PubChem CID 113434987) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
PubChem CID113434987
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
SMILESCCC(CO)(CO)NC(=O)CC1CCCCCC1
InChIInChI=1S/C14H27NO3/c1-2-14(10-16,11-17)15-13(18)9-12-7-5-3-4-6-8-12/h12,16-17H,2-11H2,1H3,(H,15,18)
InChIKeySVZHBVJCWOROHA-UHFFFAOYSA-N
XLogP1.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
2-[(2-cyclohexylacetyl)amino]-2-methylbutanoic acid
CID 79792659
N-(1-bromo-2-methylbutan-2-yl)-2-cycloheptylacetamide
CID 114459098
N-(3-carbamothioylpentan-3-yl)-2-cycloheptylacetamide
CID 114457879
N-(1-bromo-2-methylbutan-2-yl)-2-cyclohexylacetamide
CID 114314529
N-(3-cyanopentan-3-yl)-2-cyclohexylacetamide
CID 61120227
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
CID 59903021
2-(cyclopentylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 114010606
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103890790
2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103604609
N-(2-cyanobutan-2-yl)-2-cyclopentylacetamide
CID 61119984
3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
CID 115909826

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The IUPAC name of 2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide (CID 113434987) is 2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide.
What is the SMILES notation for 2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The canonical SMILES for 2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is CCC(CO)(CO)NC(=O)CC1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
The InChIKey is SVZHBVJCWOROHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-14(10-16,11-17)15-13(18)9-12-7-5-3-4-6-8-12/h12,16-17H,2-11H2,1H3,(H,15,18).
What are the key properties of 2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide?
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide has a molecular weight of 257.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide is sourced from PubChem (CID 113434987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).