N'-cyclohexyl-N-(3-methoxypropyl)propanediamide

C13H24N2O3 — CID 108942501

IUPACN'-cyclohexyl-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-18-9-5-8-14-12(16)10-13(17)15-11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyMWNRSSUXZNYWME-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.98
Rot. Bonds7

About N'-cyclohexyl-N-(3-methoxypropyl)propanediamide

N'-cyclohexyl-N-(3-methoxypropyl)propanediamide (PubChem CID 108942501) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-cyclohexyl-N-(3-methoxypropyl)propanediamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-(3-methoxypropyl)propanediamide
PubChem CID108942501
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN'-cyclohexyl-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-18-9-5-8-14-12(16)10-13(17)15-11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyMWNRSSUXZNYWME-UHFFFAOYSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopropyl-N-(3-methoxypropyl)propanediamide
CID 108940973
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide
CID 47318586
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
N'-cyclopentyl-N-pentylpropanediamide
CID 108942192
2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide
CID 113159417
N-cycloheptyl-3-methoxypropanamide
CID 110839127
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide
CID 54957148
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
2-(cyclohexylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 47122602
2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide
CID 113160065

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(3-methoxypropyl)propanediamide?
The IUPAC name of N'-cyclohexyl-N-(3-methoxypropyl)propanediamide (CID 108942501) is N'-cyclohexyl-N-(3-methoxypropyl)propanediamide.
What is the SMILES notation for N'-cyclohexyl-N-(3-methoxypropyl)propanediamide?
The canonical SMILES for N'-cyclohexyl-N-(3-methoxypropyl)propanediamide is COCCCNC(=O)CC(=O)NC1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-(3-methoxypropyl)propanediamide?
The InChIKey is MWNRSSUXZNYWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-18-9-5-8-14-12(16)10-13(17)15-11-6-3-2-4-7-11/h11H,2-10H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-cyclohexyl-N-(3-methoxypropyl)propanediamide?
N'-cyclohexyl-N-(3-methoxypropyl)propanediamide has a molecular weight of 256.35 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(3-methoxypropyl)propanediamide is sourced from PubChem (CID 108942501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).