(2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide

C13H26N2O3 — CID 97236810

IUPAC(2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide
SMILESCOC[C@H](O)CNC(=O)[C@@H](C)N1CCCCCC1
InChIInChI=1S/C13H26N2O3/c1-11(15-7-5-3-4-6-8-15)13(17)14-9-12(16)10-18-2/h11-12,16H,3-10H2,1-2H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyWYTTVYNOQWFXJX-VXGBXAGGSA-N
MW258.36 g/mol
LogP0.37
Rot. Bonds6

About (2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide

(2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide (PubChem CID 97236810) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide
PubChem CID97236810
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide
SMILESCOC[C@H](O)CNC(=O)[C@@H](C)N1CCCCCC1
InChIInChI=1S/C13H26N2O3/c1-11(15-7-5-3-4-6-8-15)13(17)14-9-12(16)10-18-2/h11-12,16H,3-10H2,1-2H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyWYTTVYNOQWFXJX-VXGBXAGGSA-N
XLogP0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
CID 111430757
2-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 71984047
(2S)-2-(azepan-1-yl)-N-[(2R,4S)-4-hydroxy-2-methylpentyl]propanamide
CID 129378274
2-(azepan-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120829070
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
2-(azepan-1-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 111430562
2-piperidin-1-yl-N-prop-2-ynylpropanamide
CID 130156837
(2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide
CID 79012762
N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119382789
4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498512
2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide
CID 110024044
methyl (E)-4-[2-(azepan-1-yl)propanoylamino]but-2-enoate
CID 167977859

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide?
The IUPAC name of (2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide (CID 97236810) is (2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide.
What is the SMILES notation for (2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide?
The canonical SMILES for (2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide is COC[C@H](O)CNC(=O)[C@@H](C)N1CCCCCC1.
What is the InChIKey of (2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide?
The InChIKey is WYTTVYNOQWFXJX-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(15-7-5-3-4-6-8-15)13(17)14-9-12(16)10-18-2/h11-12,16H,3-10H2,1-2H3,(H,14,17)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide?
(2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide has a molecular weight of 258.36 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide is sourced from PubChem (CID 97236810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).