2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide

C16H26N2O2 — CID 60953617

IUPAC2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
SMILESCCCCC(N)C(=O)N(CC)C(C)c1cccc(O)c1
InChIInChI=1S/C16H26N2O2/c1-4-6-10-15(17)16(20)18(5-2)12(3)13-8-7-9-14(19)11-13/h7-9,11-12,15,19H,4-6,10,17H2,1-3H3
InChIKeyUUJSUDLPDRGOLG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.82
Rot. Bonds7

About 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide

2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide (PubChem CID 60953617) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
PubChem CID60953617
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
SMILESCCCCC(N)C(=O)N(CC)C(C)c1cccc(O)c1
InChIInChI=1S/C16H26N2O2/c1-4-6-10-15(17)16(20)18(5-2)12(3)13-8-7-9-14(19)11-13/h7-9,11-12,15,19H,4-6,10,17H2,1-3H3
InChIKeyUUJSUDLPDRGOLG-UHFFFAOYSA-N
XLogP2.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61164790
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
2-amino-N-butyl-N-(1-phenylethyl)pentanamide
CID 119331563
3-[(2S)-butan-2-yl]-1-ethyl-1-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 94797724
4-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302133
2-[2-[ethyl-[1-(3-hydroxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 61327317
4-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 65359930
(3S)-3-(3-hydroxyphenyl)-2-methylheptanoic acid
CID 67428563
3-(3-hydroxyphenyl)-2-methylheptanoic acid
CID 77290397
N-ethyl-4-hydroxy-N-[1-(3-hydroxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 60953284
[(1S)-1-(3-hydroxyphenyl)ethyl]-(3-phenylbutyl)carbamic acid
CID 66857029
3-octan-4-ylphenol
CID 54137408

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide?
The IUPAC name of 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide (CID 60953617) is 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide.
What is the SMILES notation for 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide?
The canonical SMILES for 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide is CCCCC(N)C(=O)N(CC)C(C)c1cccc(O)c1.
What is the InChIKey of 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide?
The InChIKey is UUJSUDLPDRGOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-10-15(17)16(20)18(5-2)12(3)13-8-7-9-14(19)11-13/h7-9,11-12,15,19H,4-6,10,17H2,1-3H3.
What are the key properties of 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide?
2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide has a molecular weight of 278.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide is sourced from PubChem (CID 60953617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).