N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide

C12H24N2O2 — CID 79193390

IUPACN-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide
SMILESO=C(CCCO)NCCN1CCCCCC1
InChIInChI=1S/C12H24N2O2/c15-11-5-6-12(16)13-7-10-14-8-3-1-2-4-9-14/h15H,1-11H2,(H,13,16)
InChIKeyYWKMVPQRQLJCDP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide

N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide (PubChem CID 79193390) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide
PubChem CID79193390
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide
SMILESO=C(CCCO)NCCN1CCCCCC1
InChIInChI=1S/C12H24N2O2/c15-11-5-6-12(16)13-7-10-14-8-3-1-2-4-9-14/h15H,1-11H2,(H,13,16)
InChIKeyYWKMVPQRQLJCDP-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(azepan-1-yl)ethylamino]-5-oxopentanoic acid
CID 53211701
N-(2-piperidin-1-ylethyl)pentanamide
CID 70962894
4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride
CID 119836634
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954
5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 43579827
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
CID 43346643
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 79200302
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
3-piperidin-1-yl-N-propylpropanamide
CID 110688262

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide (CID 79193390) is N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide is O=C(CCCO)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide?
The InChIKey is YWKMVPQRQLJCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c15-11-5-6-12(16)13-7-10-14-8-3-1-2-4-9-14/h15H,1-11H2,(H,13,16).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide?
N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide has a molecular weight of 228.34 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide is sourced from PubChem (CID 79193390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).