N-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide

C17H26N2O — CID 139318529

IUPACN-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide
SMILESCC(=O)/C(=N\C(C)(C)C)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C17H26N2O/c1-13(2)19(12-15-10-8-7-9-11-15)16(14(3)20)18-17(4,5)6/h7-11,13H,12H2,1-6H3/b18-16+
InChIKeyJZRMRTMHEQPGOL-FBMGVBCBSA-N
MW274.41 g/mol
LogP3.68
Rot. Bonds4

About N-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide

N-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide (PubChem CID 139318529) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide.

Molecular Properties

Compound NameN-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide
PubChem CID139318529
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide
SMILESCC(=O)/C(=N\C(C)(C)C)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C17H26N2O/c1-13(2)19(12-15-10-8-7-9-11-15)16(14(3)20)18-17(4,5)6/h7-11,13H,12H2,1-6H3/b18-16+
InChIKeyJZRMRTMHEQPGOL-FBMGVBCBSA-N
XLogP3.68
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
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N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
bis(N-benzyl-N-propan-2-ylcarbamodithioate);cobalt(2+)
CID 172834720
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
N-benzyl-N-(1-oxopropan-2-yl)acetamide
CID 19757605
(2R)-2-(dibenzylamino)propanoic acid
CID 10754456
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
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1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide?
The IUPAC name of N-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide (CID 139318529) is N-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide.
What is the SMILES notation for N-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide?
The canonical SMILES for N-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide is CC(=O)/C(=N\C(C)(C)C)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide?
The InChIKey is JZRMRTMHEQPGOL-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)19(12-15-10-8-7-9-11-15)16(14(3)20)18-17(4,5)6/h7-11,13H,12H2,1-6H3/b18-16+.
What are the key properties of N-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide?
N-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide has a molecular weight of 274.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-tert-butyl-2-oxo-N-propan-2-ylpropanimidamide is sourced from PubChem (CID 139318529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).