N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride

C15H22ClN3O3 — CID 119572628

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-15(10-16,12-6-7-12)17-14(19)8-5-11-3-2-4-13(9-11)18(20)21;/h2-4,9,12H,5-8,10,16H2,1H3,(H,17,19);1H
InChIKeyZKGQTHZUIYIFSE-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.19
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride (PubChem CID 119572628) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride
PubChem CID119572628
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride
SMILESCC(CN)(NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-15(10-16,12-6-7-12)17-14(19)8-5-11-3-2-4-13(9-11)18(20)21;/h2-4,9,12H,5-8,10,16H2,1H3,(H,17,19);1H
InChIKeyZKGQTHZUIYIFSE-UHFFFAOYSA-N
XLogP2.19
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.19
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-(1-amino-2-cyclopropylpropan-2-yl)-2-[methyl-(3-nitrophenyl)sulfonylamino]acetamide
CID 119573617
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-bromo-3-methylphenyl)propanamide;hydrochloride
CID 119573653
N-[(2S)-1-aminopropan-2-yl]-3-(3-nitrophenyl)propanamide
CID 120505135
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-bromophenyl)propanamide;hydrochloride
CID 119575175
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 119573465
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829
N-(1-amino-2-cyclopropylpropan-2-yl)-3-thiophen-2-ylpropanamide
CID 119573701
3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460321
N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride
CID 119573183
N-(3-methylpiperidin-4-yl)-3-(3-nitrophenyl)propanamide
CID 120553171
N-(2-amino-2-methylpropyl)-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119628240
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119610894

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride (CID 119572628) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride is CC(CN)(NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride?
The InChIKey is ZKGQTHZUIYIFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-15(10-16,12-6-7-12)17-14(19)8-5-11-3-2-4-13(9-11)18(20)21;/h2-4,9,12H,5-8,10,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(3-nitrophenyl)propanamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 2.19, 7 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)-3-(3-nitrophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119572628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).