N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide

C24H32N2O2 — CID 42701600

IUPACN-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide
SMILESCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C24H32N2O2/c1-2-3-4-11-16-23(27)26-22(19-21-14-9-6-10-15-21)24(28)25-18-17-20-12-7-5-8-13-20/h5-10,12-15,22H,2-4,11,16-19H2,1H3,(H,25,28)(H,26,27)
InChIKeyUVUZUAVJIJBWBE-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.04
Rot. Bonds12

About N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide

N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide (PubChem CID 42701600) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide
PubChem CID42701600
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide
SMILESCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C24H32N2O2/c1-2-3-4-11-16-23(27)26-22(19-21-14-9-6-10-15-21)24(28)25-18-17-20-12-7-5-8-13-20/h5-10,12-15,22H,2-4,11,16-19H2,1H3,(H,25,28)(H,26,27)
InChIKeyUVUZUAVJIJBWBE-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.04
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
2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide
CID 70967784
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide
CID 42706052
(2S)-2-(octanoylamino)-N-(2-phenylethyl)butanediamide
CID 162387333
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
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
CID 160842704
CID 160842704
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084
2-(heptanoylamino)-4-phenylbutanoic acid
CID 114916720

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide (CID 42701600) is N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide is CCCCCCC(=O)NC(Cc1ccccc1)C(=O)NCCc1ccccc1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide?
The InChIKey is UVUZUAVJIJBWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-2-3-4-11-16-23(27)26-22(19-21-14-9-6-10-15-21)24(28)25-18-17-20-12-7-5-8-13-20/h5-10,12-15,22H,2-4,11,16-19H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide?
N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide has a molecular weight of 380.53 g/mol, XLogP of 4.04, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide is sourced from PubChem (CID 42701600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).