2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide

C14H28N2O3 — CID 110024044

IUPAC2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide
SMILESCC(C(=O)NCCCOCCO)N1CCCCCC1
InChIInChI=1S/C14H28N2O3/c1-13(16-8-4-2-3-5-9-16)14(18)15-7-6-11-19-12-10-17/h13,17H,2-12H2,1H3,(H,15,18)
InChIKeyFCSJTEZKMLKOBM-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.77
Rot. Bonds8

About 2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide

2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide (PubChem CID 110024044) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide
PubChem CID110024044
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide
SMILESCC(C(=O)NCCCOCCO)N1CCCCCC1
InChIInChI=1S/C14H28N2O3/c1-13(16-8-4-2-3-5-9-16)14(18)15-7-6-11-19-12-10-17/h13,17H,2-12H2,1H3,(H,15,18)
InChIKeyFCSJTEZKMLKOBM-UHFFFAOYSA-N
XLogP0.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(azepan-1-yl)-N-[2-(cyclopropylmethoxy)ethyl]propanamide
CID 97318732
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119382789
3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid
CID 106307494
2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106309578
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
2-(azepan-1-yl)-N-[2-(ethylamino)ethyl]propanamide;dihydrochloride
CID 119505664
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106310631
(2R)-2-[2-(azepan-1-yl)propanoylamino]propanoic acid
CID 119370307
2-(azepan-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120829070
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 115873942
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide (CID 110024044) is 2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide is CC(C(=O)NCCCOCCO)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide?
The InChIKey is FCSJTEZKMLKOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-13(16-8-4-2-3-5-9-16)14(18)15-7-6-11-19-12-10-17/h13,17H,2-12H2,1H3,(H,15,18).
What are the key properties of 2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide?
2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide has a molecular weight of 272.39 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide is sourced from PubChem (CID 110024044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).