CID 142605309

C24H30N3O — CID 142605309

IUPAC—
SMILESCCNc1ccc([C@@H](CC(=O)C2=C[CH]2)c2ccc(C)c(CC)c2)c(C)c1NN
InChIInChI=1S/C24H30N3O/c1-5-17-13-19(8-7-15(17)3)21(14-23(28)18-9-10-18)20-11-12-22(26-6-2)24(27-25)16(20)4/h7-13,21,26-27H,5-6,14,25H2,1-4H3/t21-/m0/s1
InChIKeyQXCYBGUMAGGCFZ-NRFANRHFSA-N
MW376.52 g/mol
LogP4.82
Rot. Bonds9

About CID 142605309

CID 142605309 (PubChem CID 142605309) has the molecular formula C24H30N3O and a molecular weight of 376.52 g/mol.

Molecular Properties

Compound NameCID 142605309
PubChem CID142605309
Molecular FormulaC24H30N3O
Molecular Weight376.52 g/mol
Exact Mass376.24
IUPAC Name—
SMILESCCNc1ccc([C@@H](CC(=O)C2=C[CH]2)c2ccc(C)c(CC)c2)c(C)c1NN
InChIInChI=1S/C24H30N3O/c1-5-17-13-19(8-7-15(17)3)21(14-23(28)18-9-10-18)20-11-12-22(26-6-2)24(27-25)16(20)4/h7-13,21,26-27H,5-6,14,25H2,1-4H3/t21-/m0/s1
InChIKeyQXCYBGUMAGGCFZ-NRFANRHFSA-N
XLogP4.82
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (3R)-3-[3-(cyclopropen-1-ylmethyl)-4-methylphenyl]-3-[4-(ethylamino)-3-hydrazinyl-2-methylphenyl]propanoate
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CID 142376425
ethyl (3R)-3-[3-(hydroxymethyl)-4-methylphenyl]-3-[2-methyl-4-(methylamino)-3-(2-methylhydrazinyl)phenyl]propanoate
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methyl (3R)-3-(1,4-dimethylbenzotriazol-5-yl)-3-(3-ethyl-4-methylphenyl)propanoate
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methyl 3-[2-[(2R)-1-[[5-[3-(cyclobutadienyl)-1-[3-diazenyl-4-(ethylamino)-2-methylphenyl]-3-oxopropyl]-2-methylphenyl]methyl-methylamino]butan-2-yl]oxy-3-pyridinyl]prop-2-enoate
CID 144867449
ethyl (3R)-3-[3-amino-4-[amino(methyl)amino]-2-methylphenyl]-3-[3-(hydroxymethyl)-4-methylphenyl]propanoate
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1-[3-amino-4-(ethylamino)-5-methoxy-2-methylphenyl]-1-[3-(hydroxymethyl)-4-methylphenyl]-5-phenylpentan-3-one
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ethyl 3-[3-amino-2-methyl-4-(methylamino)phenyl]-3-[3-(chloromethyl)-4-fluorophenyl]propanoate
CID 155178977
3-(3-ethyl-4-methylphenyl)butan-1-amine
CID 117282743
2-[2-(ethylamino)-4-methylphenyl]propanoic acid
CID 154242740
3-[3-(bromomethyl)-4-methylphenyl]-3-(1,4-dimethylbenzotriazol-5-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 142605309?
The IUPAC name of CID 142605309 (CID 142605309) is not available.
What is the SMILES notation for CID 142605309?
The canonical SMILES for CID 142605309 is CCNc1ccc([C@@H](CC(=O)C2=C[CH]2)c2ccc(C)c(CC)c2)c(C)c1NN.
What is the InChIKey of CID 142605309?
The InChIKey is QXCYBGUMAGGCFZ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H30N3O/c1-5-17-13-19(8-7-15(17)3)21(14-23(28)18-9-10-18)20-11-12-22(26-6-2)24(27-25)16(20)4/h7-13,21,26-27H,5-6,14,25H2,1-4H3/t21-/m0/s1.
What are the key properties of CID 142605309?
CID 142605309 has a molecular weight of 376.52 g/mol, XLogP of 4.82, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142605309 is sourced from PubChem (CID 142605309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).