2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide

C26H35N3O3 — CID 170991428

IUPAC2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide
SMILESCC(c1ccccc1)N(C(=O)c1ccccc1)C(C(N)=O)C(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C26H35N3O3/c1-18(19-14-10-8-11-15-19)28(23(31)20-16-12-9-13-17-20)21(22(27)30)24(32)29(25(2,3)4)26(5,6)7/h8-18,21H,1-7H3,(H2,27,30)
InChIKeyOFNAUWLDBQBXSV-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.17
Rot. Bonds6

About 2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide

2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide (PubChem CID 170991428) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide.

Molecular Properties

Compound Name2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide
PubChem CID170991428
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide
SMILESCC(c1ccccc1)N(C(=O)c1ccccc1)C(C(N)=O)C(=O)N(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C26H35N3O3/c1-18(19-14-10-8-11-15-19)28(23(31)20-16-12-9-13-17-20)21(22(27)30)24(32)29(25(2,3)4)26(5,6)7/h8-18,21H,1-7H3,(H2,27,30)
InChIKeyOFNAUWLDBQBXSV-UHFFFAOYSA-N
XLogP4.17
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N,N-bis[(1S)-1-phenylethyl]propanamide
CID 101049938
N-hydroxy-N-(1-phenylethyl)benzamide
CID 23260477
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 118247039
N-(2-amino-2-oxo-1-phenylethyl)-N-[(1R)-1-cyclohexylethyl]benzamide
CID 118247037
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-[3-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 118247046
N,N-bis[(1R)-1-phenylethyl]acetamide
CID 10706954
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(2,3-difluorophenyl)ethyl]benzamide
CID 118246986
N-[(2S)-1-(2,2-dimethoxyethylamino)-3-methyl-1-oxobutan-2-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 23651041
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(1R)-1-(5-fluorothiophen-2-yl)ethyl]benzamide
CID 118246847
2-[[2-[benzoyl-[(1S)-1-phenylethyl]amino]-2-methylpropanoyl]amino]-2-phenylacetic acid
CID 102038984
N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide
CID 13262498
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 118246932

Frequently Asked Questions

What is the IUPAC name of 2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide?
The IUPAC name of 2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide (CID 170991428) is 2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide.
What is the SMILES notation for 2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide?
The canonical SMILES for 2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide is CC(c1ccccc1)N(C(=O)c1ccccc1)C(C(N)=O)C(=O)N(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide?
The InChIKey is OFNAUWLDBQBXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-18(19-14-10-8-11-15-19)28(23(31)20-16-12-9-13-17-20)21(22(27)30)24(32)29(25(2,3)4)26(5,6)7/h8-18,21H,1-7H3,(H2,27,30).
What are the key properties of 2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide?
2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide has a molecular weight of 437.58 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzoyl(1-phenylethyl)amino]-N',N'-ditert-butylpropanediamide is sourced from PubChem (CID 170991428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).