4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide

C17H28N2O2 — CID 107862900

IUPAC4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide
SMILESCCCC(CCN)CCC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-2-6-14(11-12-18)9-10-17(21)19-16(13-20)15-7-4-3-5-8-15/h3-5,7-8,14,16,20H,2,6,9-13,18H2,1H3,(H,19,21)/t14?,16-/m1/s1
InChIKeyQTRWWDUKDDOKRP-BZSJEYESSA-N
MW292.42 g/mol
LogP2.38
Rot. Bonds10

About 4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide

4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide (PubChem CID 107862900) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide
PubChem CID107862900
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide
SMILESCCCC(CCN)CCC(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-2-6-14(11-12-18)9-10-17(21)19-16(13-20)15-7-4-3-5-8-15/h3-5,7-8,14,16,20H,2,6,9-13,18H2,1H3,(H,19,21)/t14?,16-/m1/s1
InChIKeyQTRWWDUKDDOKRP-BZSJEYESSA-N
XLogP2.38
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide
CID 107863213
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
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
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide
CID 107863374
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide
CID 103946356
(3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide
CID 154648376

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide (CID 107862900) is 4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide is CCCC(CCN)CCC(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide?
The InChIKey is QTRWWDUKDDOKRP-BZSJEYESSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-6-14(11-12-18)9-10-17(21)19-16(13-20)15-7-4-3-5-8-15/h3-5,7-8,14,16,20H,2,6,9-13,18H2,1H3,(H,19,21)/t14?,16-/m1/s1.
What are the key properties of 4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide?
4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide has a molecular weight of 292.42 g/mol, XLogP of 2.38, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide is sourced from PubChem (CID 107862900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).