N-(4-aminocyclohexyl)-2-pentoxyacetamide

C13H26N2O2 — CID 119474713

IUPACN-(4-aminocyclohexyl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)NC1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-9-17-10-13(16)15-12-7-5-11(14)6-8-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyCPIWOWYHVJGZMO-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.58
Rot. Bonds7

About N-(4-aminocyclohexyl)-2-pentoxyacetamide

N-(4-aminocyclohexyl)-2-pentoxyacetamide (PubChem CID 119474713) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-pentoxyacetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-pentoxyacetamide
PubChem CID119474713
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(4-aminocyclohexyl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)NC1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-2-3-4-9-17-10-13(16)15-12-7-5-11(14)6-8-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyCPIWOWYHVJGZMO-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.58
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

2-pentoxy-N-(thietan-3-yl)acetamide
CID 126832129
cis-(1S,3R)-3-[(2-pentoxyacetyl)amino]cyclopentane-1-carboxylic acid
CID 97338871
2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide
CID 86838704
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
CID 119475217
N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119474575
2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 60706988
N-(4-chlorocyclohexyl)-2-ethoxyacetamide
CID 114297048
2-decoxy-N-sulfanylacetamide
CID 150404301
2-(4-aminocyclohexyl)-N-(4-ethylcyclohexyl)acetamide
CID 62782919
N-(4-aminocyclohexyl)-5-bromopentanamide
CID 107909975
4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 79473987
2-(2-amino-2-methylbutoxy)-N-cyclopropylacetamide
CID 64572744

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-pentoxyacetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-pentoxyacetamide (CID 119474713) is N-(4-aminocyclohexyl)-2-pentoxyacetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-pentoxyacetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-pentoxyacetamide is CCCCCOCC(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-pentoxyacetamide?
The InChIKey is CPIWOWYHVJGZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-4-9-17-10-13(16)15-12-7-5-11(14)6-8-12/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of N-(4-aminocyclohexyl)-2-pentoxyacetamide?
N-(4-aminocyclohexyl)-2-pentoxyacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-pentoxyacetamide is sourced from PubChem (CID 119474713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).