N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide

C14H28N2O2 — CID 48652417

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-4-10-18-11-13(17)15-12-14(16(2)3)8-6-5-7-9-14/h4-12H2,1-3H3,(H,15,17)
InChIKeyGCOKXWWHYITKJM-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds7

About N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide (PubChem CID 48652417) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide
PubChem CID48652417
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C14H28N2O2/c1-4-10-18-11-13(17)15-12-14(16(2)3)8-6-5-7-9-14/h4-12H2,1-3H3,(H,15,17)
InChIKeyGCOKXWWHYITKJM-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(morpholin-4-ylcyclohexyl)methyl]propanamide
CID 17010885
2-Ethylhexyl diglycolamide
CID 129831472
N-[(2S)-1-methoxypropan-2-yl]-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 39973439
2-methoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 47005449
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 47035747
(2S)-2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide
CID 125521631
N-[1-(Piperidin-1-ylmethyl)cyclohexyl]-2-propoxyacetamide
CID 129622083
N-[(1R)-1-cyclohexylethyl]-2-methoxyacetamide
CID 81385907
Di-dodecyl diethylhexyl diglycolamide
CID 129831717
N-(1-methylcyclohexyl)-2-morpholin-4-ylacetamide
CID 3065772
1-(1,4-Diazaspiro[5.5]undecan-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209527
N-[1-(aminomethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212917

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide (CID 48652417) is N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide is CCCOCC(=O)NCC1(N(C)C)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide?
The InChIKey is GCOKXWWHYITKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-10-18-11-13(17)15-12-14(16(2)3)8-6-5-7-9-14/h4-12H2,1-3H3,(H,15,17).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide has a molecular weight of 256.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-propoxyacetamide is sourced from PubChem (CID 48652417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).