N-(4-hydroxybutyl)azepane-2-carboxamide

C11H22N2O2 — CID 106842137

IUPACN-(4-hydroxybutyl)azepane-2-carboxamide
SMILESO=C(NCCCCO)C1CCCCCN1
InChIInChI=1S/C11H22N2O2/c14-9-5-4-8-13-11(15)10-6-2-1-3-7-12-10/h10,12,14H,1-9H2,(H,13,15)
InChIKeyWSSMONVVHRVNKN-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.41
Rot. Bonds5

About N-(4-hydroxybutyl)azepane-2-carboxamide

N-(4-hydroxybutyl)azepane-2-carboxamide (PubChem CID 106842137) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(4-hydroxybutyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)azepane-2-carboxamide
PubChem CID106842137
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(4-hydroxybutyl)azepane-2-carboxamide
SMILESO=C(NCCCCO)C1CCCCCN1
InChIInChI=1S/C11H22N2O2/c14-9-5-4-8-13-11(15)10-6-2-1-3-7-12-10/h10,12,14H,1-9H2,(H,13,15)
InChIKeyWSSMONVVHRVNKN-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]azepane-2-carboxamide
CID 64563964
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
(2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103812003
(2R)-N-(7-methyloctyl)piperidine-2-carboxamide
CID 103807890
(2S)-N-(5-methoxypentyl)piperidine-2-carboxamide
CID 103809997
N-(3-ethoxypropyl)azepane-2-carboxamide
CID 64562798
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040
N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
CID 81434241
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrrolidine-2-carboxamide
CID 103950540
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)azepane-2-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)azepane-2-carboxamide (CID 106842137) is N-(4-hydroxybutyl)azepane-2-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)azepane-2-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)azepane-2-carboxamide is O=C(NCCCCO)C1CCCCCN1.
What is the InChIKey of N-(4-hydroxybutyl)azepane-2-carboxamide?
The InChIKey is WSSMONVVHRVNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c14-9-5-4-8-13-11(15)10-6-2-1-3-7-12-10/h10,12,14H,1-9H2,(H,13,15).
What are the key properties of N-(4-hydroxybutyl)azepane-2-carboxamide?
N-(4-hydroxybutyl)azepane-2-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)azepane-2-carboxamide is sourced from PubChem (CID 106842137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).