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

C13H19N3O3 — CID 49489257

IUPAC2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide
SMILESCC(C)(C)NCC(=O)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)15-9-12(17)14-8-10-4-6-11(7-5-10)16(18)19/h4-7,15H,8-9H2,1-3H3,(H,14,17)
InChIKeyDJCQBEMZLRVIRM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.60
Rot. Bonds5

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

2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide (PubChem CID 49489257) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide
PubChem CID49489257
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide
SMILESCC(C)(C)NCC(=O)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H19N3O3/c1-13(2,3)15-9-12(17)14-8-10-4-6-11(7-5-10)16(18)19/h4-7,15H,8-9H2,1-3H3,(H,14,17)
InChIKeyDJCQBEMZLRVIRM-UHFFFAOYSA-N
XLogP1.60
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
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-tert-butyl-2-[(4-nitrophenyl)methylcarbamoylamino]acetamide
CID 87034642
2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 78907391
2-[(2-methylpropan-2-yl)oxy]-N-[(4-nitrophenyl)methyl]acetamide
CID 112605091
N-tert-butyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 115605393
tert-butyl N-[[4-[2-(4-nitrophenyl)ethyl]phenyl]methyl]carbamate
CID 174249930
N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
CID 43214518
4-ethoxy-N-[2-[(4-nitrophenyl)methylamino]-2-oxoethyl]benzamide
CID 60552577
2-cyano-2-methyl-N-[(4-nitrophenyl)methyl]butanamide
CID 114291180
2-cyclopentyl-N-[(4-nitrophenyl)methyl]acetamide
CID 47312023
2-(tert-butylamino)-N-(2-chloro-4-nitrophenyl)acetamide
CID 27150066
2-(aminomethyl)-4,4-dimethyl-N-[(4-nitrophenyl)methyl]pentanamide
CID 107471435
N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
CID 60691812

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide (CID 49489257) is 2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide is CC(C)(C)NCC(=O)NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide?
The InChIKey is DJCQBEMZLRVIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,3)15-9-12(17)14-8-10-4-6-11(7-5-10)16(18)19/h4-7,15H,8-9H2,1-3H3,(H,14,17).
What are the key properties of 2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide?
2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 49489257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).