(2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide

C23H24N2O3 — CID 7311884

IUPAC(2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3ccccc3c2[N+](=O)[O-])cc1
InChIInChI=1S/C23H24N2O3/c1-15(2)14-17-8-10-18(11-9-17)16(3)23(26)24-21-13-12-19-6-4-5-7-20(19)22(21)25(27)28/h4-13,15-16H,14H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyJUZMXMGLYPBTBJ-MRXNPFEDSA-N
MW376.46 g/mol
LogP5.69
Rot. Bonds6

About (2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide

(2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide (PubChem CID 7311884) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide
PubChem CID7311884
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide
SMILESCC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3ccccc3c2[N+](=O)[O-])cc1
InChIInChI=1S/C23H24N2O3/c1-15(2)14-17-8-10-18(11-9-17)16(3)23(26)24-21-13-12-19-6-4-5-7-20(19)22(21)25(27)28/h4-13,15-16H,14H2,1-3H3,(H,24,26)/t16-/m1/s1
InChIKeyJUZMXMGLYPBTBJ-MRXNPFEDSA-N
XLogP5.69
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 14456233
(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228333
N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782184
(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782119
(2S)-N-(2-hydroxy-4-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 7313981
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
2-[4-(2-methylpropyl)phenyl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 54781980
N-(2,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 4681901
N-(3-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 5183452
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide?
The IUPAC name of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide (CID 7311884) is (2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide is CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3ccccc3c2[N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide?
The InChIKey is JUZMXMGLYPBTBJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15(2)14-17-8-10-18(11-9-17)16(3)23(26)24-21-13-12-19-6-4-5-7-20(19)22(21)25(27)28/h4-13,15-16H,14H2,1-3H3,(H,24,26)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide?
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide has a molecular weight of 376.46 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-methylpropyl)phenyl]-N-(1-nitronaphthalen-2-yl)propanamide is sourced from PubChem (CID 7311884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).