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

C12H23NO3 — CID 59903021

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
SMILESCCC(CO)(CO)NC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO3/c1-2-12(8-14,9-15)13-11(16)10-6-4-3-5-7-10/h10,14-15H,2-9H2,1H3,(H,13,16)
InChIKeyYERXWYFTTSRNFY-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.82
Rot. Bonds5

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

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide (PubChem CID 59903021) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
PubChem CID59903021
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide
SMILESCCC(CO)(CO)NC(=O)C1CCCCC1
InChIInChI=1S/C12H23NO3/c1-2-12(8-14,9-15)13-11(16)10-6-4-3-5-7-10/h10,14-15H,2-9H2,1H3,(H,13,16)
InChIKeyYERXWYFTTSRNFY-UHFFFAOYSA-N
XLogP0.82
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(bromomethyl)pentan-3-yl]cyclopentanecarboxamide
CID 114315142
3-(cyclooctanecarbonylamino)-3-ethylpentanoic acid
CID 120532492
4-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexane-1-carboxamide
CID 107865545
1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 104629931
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106834436
1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 103891036
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]cyclohexane-1-carboxamide
CID 63045589
2-cycloheptyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 113434987
N-tert-butylcyclooctanecarboxamide
CID 65022804
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-(1-amino-2-methylbutan-2-yl)cycloheptanecarboxamide
CID 64551753
N-(3-cyanopentan-3-yl)cyclooctanecarboxamide
CID 65018271

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide (CID 59903021) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide is CCC(CO)(CO)NC(=O)C1CCCCC1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide?
The InChIKey is YERXWYFTTSRNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-12(8-14,9-15)13-11(16)10-6-4-3-5-7-10/h10,14-15H,2-9H2,1H3,(H,13,16).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide has a molecular weight of 229.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 59903021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).