N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide

C14H28N2O2 — CID 111103348

IUPACN-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(CC(C)O)C1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(17)11-16(10-6-9-15-13(2)18)14-7-4-3-5-8-14/h12,14,17H,3-11H2,1-2H3,(H,15,18)
InChIKeyGACGSKRVNDZYMR-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.53
Rot. Bonds7

About N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide

N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide (PubChem CID 111103348) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide
PubChem CID111103348
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide
SMILESCC(=O)NCCCN(CC(C)O)C1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-12(17)11-16(10-6-9-15-13(2)18)14-7-4-3-5-8-14/h12,14,17H,3-11H2,1-2H3,(H,15,18)
InChIKeyGACGSKRVNDZYMR-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[cyclobutyl(2-hydroxypropyl)amino]propylamino]propan-2-ol
CID 149151222
1-[2-aminoethyl(cyclohexyl)amino]propan-2-ol
CID 65279530
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
N-[3-[cyclohexyl(propan-2-yl)amino]propyl]-2-methylpropanamide
CID 59205246
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
CID 120503009
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
CID 82330624
N-[2-[acetyl(cyclopentyl)amino]ethyl]-2-methylpropanamide
CID 113052772
6-[cyclopentyl(2-methylpropyl)amino]hexan-1-ol
CID 103737867
2-chloro-N-cyclohexyl-N-(2-hydroxypropyl)acetamide
CID 154848803

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide?
The IUPAC name of N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide (CID 111103348) is N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide is CC(=O)NCCCN(CC(C)O)C1CCCCC1.
What is the InChIKey of N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide?
The InChIKey is GACGSKRVNDZYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(17)11-16(10-6-9-15-13(2)18)14-7-4-3-5-8-14/h12,14,17H,3-11H2,1-2H3,(H,15,18).
What are the key properties of N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide?
N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide has a molecular weight of 256.39 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(2-hydroxypropyl)amino]propyl]acetamide is sourced from PubChem (CID 111103348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).