N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide

C15H21N3O5 — CID 8586964

IUPACN-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O5/c1-15(2,3)16-13(19)9-17(4)14(20)10-23-12-7-5-6-11(8-12)18(21)22/h5-8H,9-10H2,1-4H3,(H,16,19)
InChIKeyCOGLXAMYYDJIBF-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.35
Rot. Bonds6

About N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide

N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide (PubChem CID 8586964) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
PubChem CID8586964
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC NameN-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O5/c1-15(2,3)16-13(19)9-17(4)14(20)10-23-12-7-5-6-11(8-12)18(21)22/h5-8H,9-10H2,1-4H3,(H,16,19)
InChIKeyCOGLXAMYYDJIBF-UHFFFAOYSA-N
XLogP1.35
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586850
2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 9193534
N-(3,4-dichlorophenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 39093599
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 55403286
N-methoxy-N-methyl-2-(3-nitrophenoxy)acetamide
CID 55027939
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenoxy)acetamide
CID 43500706
N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide
CID 8649325
N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide
CID 30381222
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(3-nitrophenoxy)acetamide
CID 63929130
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-methoxy-5-nitrobenzoate
CID 40666691
N-methyl-2-(3-nitrophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64511055
N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 9012039

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide (CID 8586964) is N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide is CN(CC(=O)NC(C)(C)C)C(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide?
The InChIKey is COGLXAMYYDJIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-15(2,3)16-13(19)9-17(4)14(20)10-23-12-7-5-6-11(8-12)18(21)22/h5-8H,9-10H2,1-4H3,(H,16,19).
What are the key properties of N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide?
N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 8586964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).