N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride

C14H20ClN3O3 — CID 119572208

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride
SMILESCC(CN)(NC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-14(9-15,11-6-7-11)16-13(18)8-10-4-2-3-5-12(10)17(19)20;/h2-5,11H,6-9,15H2,1H3,(H,16,18);1H
InChIKeyGVAZQEHYWAXDBB-UHFFFAOYSA-N
MW313.78 g/mol
LogP1.80
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride (PubChem CID 119572208) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride
PubChem CID119572208
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride
SMILESCC(CN)(NC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-14(9-15,11-6-7-11)16-13(18)8-10-4-2-3-5-12(10)17(19)20;/h2-5,11H,6-9,15H2,1H3,(H,16,18);1H
InChIKeyGVAZQEHYWAXDBB-UHFFFAOYSA-N
XLogP1.80
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 51.80
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

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CID 119572628
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CID 115553955
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CID 115308023
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CID 119575653
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CID 119573183
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119574460
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,6-dimethoxyphenyl)acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride (CID 119572208) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride is CC(CN)(NC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride?
The InChIKey is GVAZQEHYWAXDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-14(9-15,11-6-7-11)16-13(18)8-10-4-2-3-5-12(10)17(19)20;/h2-5,11H,6-9,15H2,1H3,(H,16,18);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride has a molecular weight of 313.78 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-nitrophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119572208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).