N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide

C16H23N3O4 — CID 35361318

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H23N3O4/c1-5-18(11-14(20)17-16(2,3)4)15(21)10-12-6-8-13(9-7-12)19(22)23/h6-9H,5,10-11H2,1-4H3,(H,17,20)
InChIKeyFTLIGAMRNYCBMB-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.90
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide (PubChem CID 35361318) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide
PubChem CID35361318
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H23N3O4/c1-5-18(11-14(20)17-16(2,3)4)15(21)10-12-6-8-13(9-7-12)19(22)23/h6-9H,5,10-11H2,1-4H3,(H,17,20)
InChIKeyFTLIGAMRNYCBMB-UHFFFAOYSA-N
XLogP1.90
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-N-(2-methylprop-2-enyl)-2-(4-nitrophenyl)acetamide
CID 134013284
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-ethylacetamide
CID 30471741
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-3-nitrobenzamide
CID 24546450
N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide
CID 9189054
N-tert-butyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 115605393
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
2-methyl-2-[methyl-[2-(4-nitrophenyl)acetyl]amino]propanoic acid
CID 62819150
N-tert-butyl-2-[(4-nitrophenyl)methylcarbamoylamino]acetamide
CID 87034642
N-(3-methylpent-1-yn-3-yl)-2-(4-nitrophenyl)acetamide
CID 4303276
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 51075473
N-tert-butyl-2-[(2-chloroacetyl)-ethylamino]acetamide
CID 2113270
2-[(2-amino-2-oxoethyl)-[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 107433905

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide (CID 35361318) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide is CCN(CC(=O)NC(C)(C)C)C(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide?
The InChIKey is FTLIGAMRNYCBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-5-18(11-14(20)17-16(2,3)4)15(21)10-12-6-8-13(9-7-12)19(22)23/h6-9H,5,10-11H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 35361318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).