6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide

C16H26N2O2 — CID 107863098

IUPAC6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide
SMILESCC(CCN)CCC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-13(9-10-17)7-8-16(20)18-15(12-19)11-14-5-3-2-4-6-14/h2-6,13,15,19H,7-12,17H2,1H3,(H,18,20)/t13?,15-/m0/s1
InChIKeySZZZHUDNTNWEBR-WUJWULDRSA-N
MW278.40 g/mol
LogP1.47
Rot. Bonds9

About 6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide

6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide (PubChem CID 107863098) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide
PubChem CID107863098
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide
SMILESCC(CCN)CCC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-13(9-10-17)7-8-16(20)18-15(12-19)11-14-5-3-2-4-6-14/h2-6,13,15,19H,7-12,17H2,1H3,(H,18,20)/t13?,15-/m0/s1
InChIKeySZZZHUDNTNWEBR-WUJWULDRSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
5-amino-N-(1-hydroxy-3-phenylpropan-2-yl)hexanamide
CID 82851763
5-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexanamide
CID 107860949
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 114010279
6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide
CID 65291089
3-(dimethylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861208
N-(1-hydroxy-3-phenylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 63261276
3-acetamido-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 63260698
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107863070

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide?
The IUPAC name of 6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide (CID 107863098) is 6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide.
What is the SMILES notation for 6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide?
The canonical SMILES for 6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide is CC(CCN)CCC(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide?
The InChIKey is SZZZHUDNTNWEBR-WUJWULDRSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(9-10-17)7-8-16(20)18-15(12-19)11-14-5-3-2-4-6-14/h2-6,13,15,19H,7-12,17H2,1H3,(H,18,20)/t13?,15-/m0/s1.
What are the key properties of 6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide?
6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide has a molecular weight of 278.40 g/mol, XLogP of 1.47, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide is sourced from PubChem (CID 107863098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).