N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride

C14H22ClN3O4 — CID 119606865

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)COc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H21N3O4.ClH/c1-10(2)14(3,9-15)16-13(18)8-21-12-7-5-4-6-11(12)17(19)20;/h4-7,10H,8-9,15H2,1-3H3,(H,16,18);1H
InChIKeyKEDDAGLKEIDNDA-UHFFFAOYSA-N
MW331.80 g/mol
LogP1.88
Rot. Bonds7

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride (PubChem CID 119606865) has the molecular formula C14H22ClN3O4 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride
PubChem CID119606865
Molecular FormulaC14H22ClN3O4
Molecular Weight331.80 g/mol
Exact Mass331.13
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)COc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H21N3O4.ClH/c1-10(2)14(3,9-15)16-13(18)8-21-12-7-5-4-6-11(12)17(19)20;/h4-7,10H,8-9,15H2,1-3H3,(H,16,18);1H
InChIKeyKEDDAGLKEIDNDA-UHFFFAOYSA-N
XLogP1.88
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 51.88
H-Bond Donors ≤ 52
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-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxyacetamide;hydrochloride
CID 119605895
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide
CID 7858942
N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-nitrophenoxy)acetamide
CID 62520470
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
N-(4-hydroxybutan-2-yl)-2-(2-nitrophenoxy)acetamide
CID 115283580
N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride
CID 120653870
2,2-dimethyl-3-[[2-(2-nitrophenoxy)acetyl]amino]propanoic acid
CID 115427230
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288
2-amino-N-(1-amino-2,3-dimethylbutan-2-yl)-3-nitrobenzamide;hydrochloride
CID 119606725
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7719046
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride (CID 119606865) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride is CC(C)C(C)(CN)NC(=O)COc1ccccc1[N+](=O)[O-].Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride?
The InChIKey is KEDDAGLKEIDNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4.ClH/c1-10(2)14(3,9-15)16-13(18)8-21-12-7-5-4-6-11(12)17(19)20;/h4-7,10H,8-9,15H2,1-3H3,(H,16,18);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride has a molecular weight of 331.80 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-nitrophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119606865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).