2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide

C13H26N2O3 — CID 102848725

IUPAC2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(CCCO)C1CCC1
InChIInChI=1S/C13H26N2O3/c1-18-10-3-7-14-13(17)11-15(8-4-9-16)12-5-2-6-12/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeyYQWRTLAXRALMSV-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.38
Rot. Bonds10

About 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide

2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide (PubChem CID 102848725) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide
PubChem CID102848725
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(CCCO)C1CCC1
InChIInChI=1S/C13H26N2O3/c1-18-10-3-7-14-13(17)11-15(8-4-9-16)12-5-2-6-12/h12,16H,2-11H2,1H3,(H,14,17)
InChIKeyYQWRTLAXRALMSV-UHFFFAOYSA-N
XLogP0.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 62016627
N-(cyanomethyl)-2-[cyclobutyl(3-hydroxypropyl)amino]acetamide
CID 102848492
2-[2-aminoethyl(cyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 102875295
N-(3-methoxypropyl)-2-[piperidin-3-yl(propyl)amino]acetamide
CID 63637518
2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide
CID 113159417
2-[cyclohexyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-(2-methoxyethyl)acetamide
CID 43067877
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate
CID 102676800
N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 87017395
methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
CID 103768668
2-[acetyl(cyclohexyl)amino]-N-(2-methoxyethyl)acetamide
CID 113159416
2-[cyclopentyl(4-methoxybutyl)amino]ethanol
CID 115679647

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide (CID 102848725) is 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(CCCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is YQWRTLAXRALMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-18-10-3-7-14-13(17)11-15(8-4-9-16)12-5-2-6-12/h12,16H,2-11H2,1H3,(H,14,17).
What are the key properties of 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide?
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 102848725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).