N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide

C16H24N2O2 — CID 108503369

IUPACN'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-12(2)18(11-13-9-7-6-8-10-13)15(20)14(19)17-16(3,4)5/h6-10,12H,11H2,1-5H3,(H,17,19)
InChIKeyHBLDPNGEEUCKDK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.34
Rot. Bonds3

About N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide

N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide (PubChem CID 108503369) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
PubChem CID108503369
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-12(2)18(11-13-9-7-6-8-10-13)15(20)14(19)17-16(3,4)5/h6-10,12H,11H2,1-5H3,(H,17,19)
InChIKeyHBLDPNGEEUCKDK-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide
CID 43316028
2-[[benzyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 61266533
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide
CID 108503523
2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide
CID 11004638
N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109124715
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
N'-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-propan-2-yloxamide
CID 108503417
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide
CID 108503582
N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide
CID 108985863

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide?
The IUPAC name of N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide (CID 108503369) is N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide.
What is the SMILES notation for N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide?
The canonical SMILES for N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide is CC(C)N(Cc1ccccc1)C(=O)C(=O)NC(C)(C)C.
What is the InChIKey of N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide?
The InChIKey is HBLDPNGEEUCKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)18(11-13-9-7-6-8-10-13)15(20)14(19)17-16(3,4)5/h6-10,12H,11H2,1-5H3,(H,17,19).
What are the key properties of N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide?
N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide has a molecular weight of 276.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide is sourced from PubChem (CID 108503369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).