N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide

C12H22N2O3 — CID 174424593

IUPACN-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide
SMILESCCCC(NC(=O)C1CCC(O)CC1)C(N)=O
InChIInChI=1S/C12H22N2O3/c1-2-3-10(11(13)16)14-12(17)8-4-6-9(15)7-5-8/h8-10,15H,2-7H2,1H3,(H2,13,16)(H,14,17)
InChIKeyXVYBZEKUJBYZIF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.31
Rot. Bonds5

About N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide

N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide (PubChem CID 174424593) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide
PubChem CID174424593
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide
SMILESCCCC(NC(=O)C1CCC(O)CC1)C(N)=O
InChIInChI=1S/C12H22N2O3/c1-2-3-10(11(13)16)14-12(17)8-4-6-9(15)7-5-8/h8-10,15H,2-7H2,1H3,(H2,13,16)(H,14,17)
InChIKeyXVYBZEKUJBYZIF-UHFFFAOYSA-N
XLogP0.31
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-4-hydroxycyclohexane-1-carboxamide
CID 122560196
cis-N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-4-hydroxycyclohexanecarboxamide
CID 124215622
4-hydroxy-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]cyclohexane-1-carboxamide
CID 125527071
N-[(2S)-2-(dimethylamino)pentyl]-4-hydroxycyclohexane-1-carboxamide
CID 129617577
4-hydroxy-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 164631481
N-[2-[[2-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-4-hydroxycyclohexane-1-carboxamide
CID 58774295
2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106133035
N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
CID 137842272
cis-N-{3-[ethyl(methyl)amino]-2-methylpropyl}-4-hydroxycyclohexanecarboxamide
CID 56703310
(4R)-4-amino-N,N-diethyl-1-[(cis-4-hydroxycyclohexyl)carbonyl]-L-prolinamide
CID 56757275
N-ethyl-4-hydroxycyclohexane-1-carboxamide
CID 19261474
2-amino-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 19816228

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide (CID 174424593) is N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide is CCCC(NC(=O)C1CCC(O)CC1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is XVYBZEKUJBYZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-3-10(11(13)16)14-12(17)8-4-6-9(15)7-5-8/h8-10,15H,2-7H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide?
N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopentan-2-yl)-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 174424593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).