6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide

C16H26N2O2 — CID 107863213

IUPAC6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide
SMILESCCC(CCN)CCC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-2-13(10-11-17)8-9-16(20)18-15(12-19)14-6-4-3-5-7-14/h3-7,13,15,19H,2,8-12,17H2,1H3,(H,18,20)/t13?,15-/m0/s1
InChIKeyIYIMNDCSTGCDJO-WUJWULDRSA-N
MW278.40 g/mol
LogP1.99
Rot. Bonds9

About 6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide

6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide (PubChem CID 107863213) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide.

Molecular Properties

Compound Name6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide
PubChem CID107863213
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide
SMILESCCC(CCN)CCC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-2-13(10-11-17)8-9-16(20)18-15(12-19)14-6-4-3-5-7-14/h3-7,13,15,19H,2,8-12,17H2,1H3,(H,18,20)/t13?,15-/m0/s1
InChIKeyIYIMNDCSTGCDJO-WUJWULDRSA-N
XLogP1.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide
CID 107862900
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
4-amino-N-(2-hydroxy-1-phenylethyl)-3-methylbutanamide
CID 81080405
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
6-amino-N-(benzenesulfonyl)-4-ethylhexanamide
CID 103308862
2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 110001669
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide
CID 103946356
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide?
The IUPAC name of 6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide (CID 107863213) is 6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide.
What is the SMILES notation for 6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide?
The canonical SMILES for 6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide is CCC(CCN)CCC(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide?
The InChIKey is IYIMNDCSTGCDJO-WUJWULDRSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-13(10-11-17)8-9-16(20)18-15(12-19)14-6-4-3-5-7-14/h3-7,13,15,19H,2,8-12,17H2,1H3,(H,18,20)/t13?,15-/m0/s1.
What are the key properties of 6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide?
6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide has a molecular weight of 278.40 g/mol, XLogP of 1.99, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide is sourced from PubChem (CID 107863213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).