(2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one

C17H26N2O2 — CID 104905212

IUPAC(2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESCCC1CCCN(C(=O)[C@H](N)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-13-4-3-10-19(11-9-13)17(21)16(18)12-14-5-7-15(20)8-6-14/h5-8,13,16,20H,2-4,9-12,18H2,1H3/t13?,16-/m1/s1
InChIKeyDVGJXTGEARTZJX-FQNRMIAFSA-N
MW290.41 g/mol
LogP2.30
Rot. Bonds4

About (2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one

(2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one (PubChem CID 104905212) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
PubChem CID104905212
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESCCC1CCCN(C(=O)[C@H](N)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-13-4-3-10-19(11-9-13)17(21)16(18)12-14-5-7-15(20)8-6-14/h5-8,13,16,20H,2-4,9-12,18H2,1H3/t13?,16-/m1/s1
InChIKeyDVGJXTGEARTZJX-FQNRMIAFSA-N
XLogP2.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
2-amino-3-(4-hydroxyphenyl)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 76937313
(2S)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 61148613
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107222863
(2S)-2-amino-1-[4-(2-fluoroethyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 70065985
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106586844
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide
CID 104904525
(3R)-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 103870220
(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81121192

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one (CID 104905212) is (2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one is CCC1CCCN(C(=O)[C@H](N)Cc2ccc(O)cc2)CC1.
What is the InChIKey of (2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
The InChIKey is DVGJXTGEARTZJX-FQNRMIAFSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-13-4-3-10-19(11-9-13)17(21)16(18)12-14-5-7-15(20)8-6-14/h5-8,13,16,20H,2-4,9-12,18H2,1H3/t13?,16-/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
(2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-ethylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 104905212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).