N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide

C14H28N2O2 — CID 112685751

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NCCCN(C)C1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(18-3)14(17)15-10-7-11-16(2)13-8-5-4-6-9-13/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyLCCQVDYTKKTERE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds7

About N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide

N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide (PubChem CID 112685751) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
PubChem CID112685751
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NCCCN(C)C1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(18-3)14(17)15-10-7-11-16(2)13-8-5-4-6-9-13/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyLCCQVDYTKKTERE-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-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
CID 55126074
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
CID 120503009
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate
CID 54880256
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide
CID 114328325
(2S)-2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-4-methylsulfanylbutanamide
CID 61165155
N'-cyclohexyl-N-(2,2-dimethoxyethyl)-N'-methylpropane-1,3-diamine
CID 63697606
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide
CID 65269336

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide (CID 112685751) is N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide is COC(C)C(=O)NCCCN(C)C1CCCCC1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide?
The InChIKey is LCCQVDYTKKTERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(18-3)14(17)15-10-7-11-16(2)13-8-5-4-6-9-13/h12-13H,4-11H2,1-3H3,(H,15,17).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide 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-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide is sourced from PubChem (CID 112685751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).