N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide

C15H30N2O2 — CID 64561900

IUPACN-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide
SMILESCCCCCCN(CCO)C(=O)C1CCCCCN1
InChIInChI=1S/C15H30N2O2/c1-2-3-4-8-11-17(12-13-18)15(19)14-9-6-5-7-10-16-14/h14,16,18H,2-13H2,1H3
InChIKeyWZZSAYBJFLDXBT-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.92
Rot. Bonds8

About N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide

N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide (PubChem CID 64561900) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide
PubChem CID64561900
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide
SMILESCCCCCCN(CCO)C(=O)C1CCCCCN1
InChIInChI=1S/C15H30N2O2/c1-2-3-4-8-11-17(12-13-18)15(19)14-9-6-5-7-10-16-14/h14,16,18H,2-13H2,1H3
InChIKeyWZZSAYBJFLDXBT-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.92
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

N-hexyl-N-(2-hydroxyethyl)piperidine-2-carboxamide
CID 54873129
(2R)-N,N-dipentylpiperidine-2-carboxamide
CID 93372342
(2S)-N,N-dipentylpyrrolidine-2-carboxamide
CID 61165096
N-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 53410858
N-butyl-N-(2-methoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119322175
(2R)-N-ethyl-N-propylpiperidine-2-carboxamide
CID 93272549
N-butyl-N-(2-hydroxyethyl)-4-methylpiperidine-2-carboxamide
CID 114423393
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)piperidine-2-carboxamide
CID 107479497
N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide
CID 64564571
N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide
CID 64570352
(2S)-N-butyl-N-cyclopropylpiperidine-2-carboxamide
CID 104913351
N-[2-(dimethylamino)-2-oxoethyl]-N-propylazepane-2-carboxamide
CID 64563638

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide?
The IUPAC name of N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide (CID 64561900) is N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide.
What is the SMILES notation for N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide?
The canonical SMILES for N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide is CCCCCCN(CCO)C(=O)C1CCCCCN1.
What is the InChIKey of N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide?
The InChIKey is WZZSAYBJFLDXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-2-3-4-8-11-17(12-13-18)15(19)14-9-6-5-7-10-16-14/h14,16,18H,2-13H2,1H3.
What are the key properties of N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide?
N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(2-hydroxyethyl)azepane-2-carboxamide is sourced from PubChem (CID 64561900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).