N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide

C12H24N2O2 — CID 99611784

IUPACN-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide
SMILESCCNC(=O)CCN[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C12H24N2O2/c1-2-13-12(16)7-8-14-11-6-4-3-5-10(11)9-15/h10-11,14-15H,2-9H2,1H3,(H,13,16)/t10-,11-/m1/s1
InChIKeyCKKXLEQXSGQLLP-GHMZBOCLSA-N
MW228.34 g/mol
LogP0.65
Rot. Bonds6

About N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide

N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide (PubChem CID 99611784) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide
PubChem CID99611784
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide
SMILESCCNC(=O)CCN[C@@H]1CCCC[C@@H]1CO
InChIInChI=1S/C12H24N2O2/c1-2-13-12(16)7-8-14-11-6-4-3-5-10(11)9-15/h10-11,14-15H,2-9H2,1H3,(H,13,16)/t10-,11-/m1/s1
InChIKeyCKKXLEQXSGQLLP-GHMZBOCLSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[(2-ethylcyclohexyl)amino]propanamide
CID 62627749
3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylphenyl)propanamide
CID 99611019
3-[(2-ethylcyclohexyl)amino]propanamide
CID 61466861
1-[2-(hydroxymethyl)cyclohexyl]-3-propylurea
CID 103722438
N-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide
CID 111440202
tert-butyl N-[[2-[[3-oxo-3-(propylamino)propyl]amino]cyclohexyl]methyl]carbamate
CID 113242209
1-butyl-3-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]urea
CID 96569161
N-cyclopropyl-3-[(2-ethylcyclopentyl)amino]propanamide
CID 115714181
2-amino-N-[3-(ethylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 113410032
[2-[2-(dimethylamino)ethylamino]cyclohexyl]methanol
CID 104934564
2-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]amino]ethanol
CID 131230127
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 104934416

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide?
The IUPAC name of N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide (CID 99611784) is N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide.
What is the SMILES notation for N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide?
The canonical SMILES for N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide is CCNC(=O)CCN[C@@H]1CCCC[C@@H]1CO.
What is the InChIKey of N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide?
The InChIKey is CKKXLEQXSGQLLP-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-13-12(16)7-8-14-11-6-4-3-5-10(11)9-15/h10-11,14-15H,2-9H2,1H3,(H,13,16)/t10-,11-/m1/s1.
What are the key properties of N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide?
N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]propanamide is sourced from PubChem (CID 99611784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).