(2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide

C14H28N2O2 — CID 164632719

IUPAC(2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide
SMILESCC[C@@H](C(=O)NC1(CO)CCCCC1)N(C)CC
InChIInChI=1S/C14H28N2O2/c1-4-12(16(3)5-2)13(18)15-14(11-17)9-7-6-8-10-14/h12,17H,4-11H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyOJGPJRVIIQOUIY-LBPRGKRZSA-N
MW256.39 g/mol
LogP1.53
Rot. Bonds6

About (2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide

(2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide (PubChem CID 164632719) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name(2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide
PubChem CID164632719
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide
SMILESCC[C@@H](C(=O)NC1(CO)CCCCC1)N(C)CC
InChIInChI=1S/C14H28N2O2/c1-4-12(16(3)5-2)13(18)15-14(11-17)9-7-6-8-10-14/h12,17H,4-11H2,1-3H3,(H,15,18)/t12-/m0/s1
InChIKeyOJGPJRVIIQOUIY-LBPRGKRZSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]-N-propan-2-ylacetamide
CID 71862704
2-[(2-cyclohexyl-1-hydroxypropan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 72002664
2-[(2-Hydroxycyclohexyl)methyl-methylamino]butanamide
CID 75448406
2-[[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 97569420
N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-(dimethylamino)acetamide
CID 102562239
N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide
CID 136534703
(2S)-N-[1-(hydroxymethyl)cyclopentyl]-1-methylazepane-2-carboxamide
CID 164636808
N-[1-(hydroxymethyl)cyclohexyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260489
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 116153412
(2S,3S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 55086561
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 62553375
N'-(1-cyclohexyl-2-hydroxyethyl)oxamide
CID 67127953

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide?
The IUPAC name of (2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide (CID 164632719) is (2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide.
What is the SMILES notation for (2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide?
The canonical SMILES for (2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide is CC[C@@H](C(=O)NC1(CO)CCCCC1)N(C)CC.
What is the InChIKey of (2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide?
The InChIKey is OJGPJRVIIQOUIY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-12(16(3)5-2)13(18)15-14(11-17)9-7-6-8-10-14/h12,17H,4-11H2,1-3H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide?
(2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide has a molecular weight of 256.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethyl(methyl)amino]-N-[1-(hydroxymethyl)cyclohexyl]butanamide is sourced from PubChem (CID 164632719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).