3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol

C24H26N2O3 — CID 132591813

IUPAC3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol
SMILESCCc1ccc(C(CC(O)c2ccc(C)cc2)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C24H26N2O3/c1-3-18-9-13-19(14-10-18)23(16-24(27)20-11-7-17(2)8-12-20)25-21-5-4-6-22(15-21)26(28)29/h4-15,23-25,27H,3,16H2,1-2H3
InChIKeyIQZJNUBNSWLEAB-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.74
Rot. Bonds8

About 3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol

3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol (PubChem CID 132591813) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol
PubChem CID132591813
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol
SMILESCCc1ccc(C(CC(O)c2ccc(C)cc2)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C24H26N2O3/c1-3-18-9-13-19(14-10-18)23(16-24(27)20-11-7-17(2)8-12-20)25-21-5-4-6-22(15-21)26(28)29/h4-15,23-25,27H,3,16H2,1-2H3
InChIKeyIQZJNUBNSWLEAB-UHFFFAOYSA-N
XLogP5.74
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.74
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

1-(3,4-dimethoxyphenyl)-3-(4-ethylphenyl)-3-(3-nitroanilino)propan-1-ol
CID 132591771
N-[1-(4-methylphenyl)ethyl]-3-nitroaniline
CID 43718027
(2S)-N-[(4-methylphenyl)methyl]-2-(3-nitroanilino)propanamide
CID 9274324
3-(3-methylanilino)-1-(4-methylphenyl)-3-(4-nitrophenyl)propan-1-one
CID 132593538
1,3-bis(4-methoxyphenyl)-3-(4-nitroanilino)propan-1-ol
CID 132591721
1-(4-chlorophenyl)-3-(4-ethylanilino)-3-phenylpropan-1-ol
CID 132590791
1-(4-chlorophenyl)-3-(4-nitroanilino)-3-phenylpropan-1-ol
CID 24865344
1-(4-methoxyphenyl)-3-(4-nitroanilino)-3-phenylpropan-1-ol
CID 132591699
4-[(4-methylphenyl)sulfanylmethyl]-N-(3-nitrophenyl)benzamide
CID 1255671
N-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)methyl]aniline
CID 57238089
3-(4-methoxyphenyl)-1-naphthalen-2-yl-3-(4-nitroanilino)propan-1-ol
CID 132592679
(3R)-3-[(4-methylphenyl)methyl]-4-(3-nitroanilino)-4-oxobutanoate
CID 7364016

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol?
The IUPAC name of 3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol (CID 132591813) is 3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol.
What is the SMILES notation for 3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol?
The canonical SMILES for 3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol is CCc1ccc(C(CC(O)c2ccc(C)cc2)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol?
The InChIKey is IQZJNUBNSWLEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-3-18-9-13-19(14-10-18)23(16-24(27)20-11-7-17(2)8-12-20)25-21-5-4-6-22(15-21)26(28)29/h4-15,23-25,27H,3,16H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol?
3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol has a molecular weight of 390.48 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-(4-methylphenyl)-3-(3-nitroanilino)propan-1-ol is sourced from PubChem (CID 132591813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).