N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide

C22H28N2O2 — CID 42706052

IUPACN-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide
SMILESCCCCCC(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-2-3-6-15-21(25)24-20(16-18-11-7-4-8-12-18)22(26)23-17-19-13-9-5-10-14-19/h4-5,7-14,20H,2-3,6,15-17H2,1H3,(H,23,26)(H,24,25)
InChIKeyBRDSORJGYWYOCB-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.61
Rot. Bonds10

About N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide

N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide (PubChem CID 42706052) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide
PubChem CID42706052
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide
SMILESCCCCCC(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-2-3-6-15-21(25)24-20(16-18-11-7-4-8-12-18)22(26)23-17-19-13-9-5-10-14-19/h4-5,7-14,20H,2-3,6,15-17H2,1H3,(H,23,26)(H,24,25)
InChIKeyBRDSORJGYWYOCB-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-(dodecylamino)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 12049932
N-[(2S)-1-(benzylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]heptanamide
CID 140518662
N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide
CID 42701600
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
N-[2-[[2-[[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]heptanamide
CID 176965756
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 143986713
CID 160842704
CID 160842704
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084
(2R)-2-[[(2R)-2-(octadecanoylamino)-3-phenylpropanoyl]amino]-2-phenylacetic acid
CID 132934284

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide?
The IUPAC name of N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide (CID 42706052) is N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide.
What is the SMILES notation for N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide?
The canonical SMILES for N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide is CCCCCC(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide?
The InChIKey is BRDSORJGYWYOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-3-6-15-21(25)24-20(16-18-11-7-4-8-12-18)22(26)23-17-19-13-9-5-10-14-19/h4-5,7-14,20H,2-3,6,15-17H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide?
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide has a molecular weight of 352.48 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide is sourced from PubChem (CID 42706052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).