N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

C20H24N2O4 — CID 54782184

IUPACN-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H24N2O4/c1-13(2)11-15-5-7-16(8-6-15)14(3)20(23)21-18-10-9-17(22(24)25)12-19(18)26-4/h5-10,12-14H,11H2,1-4H3,(H,21,23)
InChIKeyUANSLNLDMSENIE-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.54
Rot. Bonds7

About N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide

N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 54782184) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID54782184
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H24N2O4/c1-13(2)11-15-5-7-16(8-6-15)14(3)20(23)21-18-10-9-17(22(24)25)12-19(18)26-4/h5-10,12-14H,11H2,1-4H3,(H,21,23)
InChIKeyUANSLNLDMSENIE-UHFFFAOYSA-N
XLogP4.54
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
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-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782119
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-4-methylpentanamide
CID 61179493
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
2-cyano-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 62881537
N-[(2-methyl-5-nitrophenyl)carbamothioyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782537
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]azanium
CID 8992376
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 61179494
methyl 4,5-dimethoxy-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
CID 2827389
(2S)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 8915870
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-nitrophenyl)propanamide
CID 2944518
2-methylpropyl N-(2-methoxy-4-nitrophenyl)carbamate
CID 18877565
methyl 4,5-dimethoxy-2-[[(2S)-2-(4-nitrophenyl)propanoyl]amino]benzoate
CID 1313519

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 54782184) is N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is UANSLNLDMSENIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13(2)11-15-5-7-16(8-6-15)14(3)20(23)21-18-10-9-17(22(24)25)12-19(18)26-4/h5-10,12-14H,11H2,1-4H3,(H,21,23).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 356.42 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 54782184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).